<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>1405-5546</journal-id>
<journal-title><![CDATA[Computación y Sistemas]]></journal-title>
<abbrev-journal-title><![CDATA[Comp. y Sist.]]></abbrev-journal-title>
<issn>1405-5546</issn>
<publisher>
<publisher-name><![CDATA[Instituto Politécnico Nacional, Centro de Investigación en Computación]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1405-55462018000401123</article-id>
<article-id pub-id-type="doi">10.13053/cys-22-4-3085</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Computational Modeling of the Interactions of Drugs with Human Serum Albumin (HSA)]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Mares-Sámano]]></surname>
<given-names><![CDATA[Sergio]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Garduño-Juárez]]></surname>
<given-names><![CDATA[Ramón]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional Autónoma de México Instituto de Ciencias Físicas ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,CONACYT  ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2018</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2018</year>
</pub-date>
<volume>22</volume>
<numero>4</numero>
<fpage>1123</fpage>
<lpage>1135</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1405-55462018000401123&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1405-55462018000401123&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1405-55462018000401123&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract: Human serum albumin (HSA) is the most abundant protein in the circulatory system that shows a remarkable capacity to bind a wide range of drugs impacting their therapeutic effect. Therefore, the binding to HSA represents a fundamental factor to consider when designing and developing new drugs. Although biophysical techniques (e.g. spectroscopy) are commonly employed to measure the extent to which drugs bind to HSA, these methods are time consuming and usually extremely expensive. Hence, there is an urgent need to incorporate more efficient methods in an attempt to streamline the development of new drugs. Here we present the implementation of a robust and cost-effective computational method to the prediction of the binding affinity of drugs towards HSA. Our method incorporates the program AutoDock Vina to perform in silico molecular docking of a highly diverse set of drugs against the 3D crystal structure of HSA. The 3D structure of HSA was retrieved from the Protein Data Bank and prepared to be used as receptor in our docking simulations. 3D structures of drugs were generated and optimized using Open Babel. Our protocol using AutoDock Vina as the docking engine was capable of reproducing the binding mode of indoxyl sulfate within the X-ray crystal structure of HSA (RMSD &lt; 2.0 Å). In addition, our protocol correlated accurately predicted affinity values with experimentally determined association constants (r2=0.61). Our computational-based molecular docking approach incorporating AutoDock Vina may prove useful to the prediction of the binding affinities of drugs towards human serum albumin, and thus, could help alleviate a major bottleneck of the drug discovery process.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Computer-aided drug design]]></kwd>
<kwd lng="en"><![CDATA[modeling]]></kwd>
<kwd lng="en"><![CDATA[docking]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>1</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Agarwal]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Singh]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Sen]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Role of Molecular Docking in Computer-Aided Drug Design and Development]]></article-title>
<source><![CDATA[Pharmaceutical Sciences]]></source>
<year>2008</year>
<page-range>683-710</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>2</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Badhan]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Penny]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[In silico modelling of the interaction of flavonoids with human P-glycoprotein nucleotide-binding domain]]></article-title>
<source><![CDATA[European Journal of Medicinal Chemistry]]></source>
<year>2006</year>
<volume>41</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>285-95</page-range></nlm-citation>
</ref>
<ref id="B3">
<label>3</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Berman]]></surname>
<given-names><![CDATA[H. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Westbrook]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Feng]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Gilliland]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Bhat]]></surname>
<given-names><![CDATA[T. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Weissig]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Shindyalov]]></surname>
<given-names><![CDATA[I. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Bourne]]></surname>
<given-names><![CDATA[P. E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The Protein Data Bank]]></article-title>
<source><![CDATA[Nucleic Acids Research]]></source>
<year>2000</year>
<volume>28</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>235-42</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>4</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bhattacharya]]></surname>
<given-names><![CDATA[A. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Curry]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Franks]]></surname>
<given-names><![CDATA[N. P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Binding of the General Anesthetics Propofol and Halothane to Human Serum Albumin]]></article-title>
<source><![CDATA[Journal of Biological Chemistry]]></source>
<year>2000</year>
<volume>275</volume>
<page-range>38731-8</page-range></nlm-citation>
</ref>
<ref id="B5">
<label>5</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bi]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Sun]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Qiao]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Binding of several anti-tumor drugs to bovine serum albumin: Fluorescence study]]></article-title>
<source><![CDATA[Journal of Luminescence]]></source>
<year>2009</year>
<volume>129</volume>
<numero>5</numero>
<issue>5</issue>
<page-range>541-7</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>6</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bursulaya]]></surname>
<given-names><![CDATA[B. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Totrov]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Abagyan]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Brooks]]></surname>
<given-names><![CDATA[C. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Comparative study of several algorithms for flexible ligand docking]]></article-title>
<source><![CDATA[Journal of Computer-Aided Molecular Design]]></source>
<year>2003</year>
<volume>17</volume>
<numero>11</numero>
<issue>11</issue>
<page-range>755-63</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>7</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Chang]]></surname>
<given-names><![CDATA[M. W.]]></given-names>
</name>
<name>
<surname><![CDATA[Ayeni]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Breuer]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Torbett]]></surname>
<given-names><![CDATA[B. E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Virtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and Vina]]></article-title>
<source><![CDATA[PLoS One]]></source>
<year>2010</year>
<volume>5</volume>
<numero>e11955</numero>
<issue>e11955</issue>
</nlm-citation>
</ref>
<ref id="B8">
<label>8</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Lyne]]></surname>
<given-names><![CDATA[P. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Giordanetto]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Lovell]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[On evaluating molecular-docking methods for pose prediction and enrichment factors]]></article-title>
<source><![CDATA[Journal of Chemical Information and Modeling]]></source>
<year>2006</year>
<volume>46</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>401-15</page-range></nlm-citation>
</ref>
<ref id="B9">
<label>9</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Choi]]></surname>
<given-names><![CDATA[J. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Serohijos]]></surname>
<given-names><![CDATA[A. W. R.]]></given-names>
</name>
<name>
<surname><![CDATA[Murphy]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Lucarelli]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Lofranco]]></surname>
<given-names><![CDATA[L. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Feldman]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Shakhnovich]]></surname>
<given-names><![CDATA[E. I.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Minimalistic predictor of protein binding energy: contribution of solvation factor to protein binding]]></article-title>
<source><![CDATA[Biophysical Journal]]></source>
<year>2015</year>
<volume>108</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>795-8</page-range></nlm-citation>
</ref>
<ref id="B10">
<label>10</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Colovos]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Yeates]]></surname>
<given-names><![CDATA[T. O.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Verification of protein structures: Patterns of nonbonded atomic interactions]]></article-title>
<source><![CDATA[Protein Science]]></source>
<year>1993</year>
<volume>2</volume>
<numero>9</numero>
<issue>9</issue>
<page-range>1511-9</page-range></nlm-citation>
</ref>
<ref id="B11">
<label>11</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Dolinsky]]></surname>
<given-names><![CDATA[T. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Nielsen]]></surname>
<given-names><![CDATA[J. E.]]></given-names>
</name>
<name>
<surname><![CDATA[McCammon]]></surname>
<given-names><![CDATA[J. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Baker]]></surname>
<given-names><![CDATA[N. A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations]]></article-title>
<source><![CDATA[Nucleic Acids Research]]></source>
<year>2004</year>
<volume>32</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>W665-7</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>12</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ehrlich]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
</person-group>
<source><![CDATA[Experimental researches on specific therapeutics]]></source>
<year>1909</year>
</nlm-citation>
</ref>
<ref id="B13">
<label>13</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Epps]]></surname>
<given-names><![CDATA[D. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Raub]]></surname>
<given-names><![CDATA[T. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Caiolfa]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Chiari]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Zamai]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Determination of the affinity of drugs toward serum albumin by measurement of the quenching of the intrinsic tryptophan fluorescence of the protein]]></article-title>
<source><![CDATA[Journal of Pharmacy and Pharmacology]]></source>
<year>1999</year>
<volume>51</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>41-8</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>14</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Fischer]]></surname>
<given-names><![CDATA[E]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ueber den Amidoacetaldehyd III]]></article-title>
<source><![CDATA[Berichte der Deutschen Chemischen Gesellschaft]]></source>
<year>1894</year>
<page-range>210-7</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>15</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ghuman]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Zunszain]]></surname>
<given-names><![CDATA[P. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Petitpas]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Bhattacharya]]></surname>
<given-names><![CDATA[A. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Otagiri]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Curry]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structural basis of the drug-binding specificity of human serum albumin]]></article-title>
<source><![CDATA[Journal of Molecular Biology]]></source>
<year>2005</year>
<volume>353</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>38-52</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>16</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Guha]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Howard]]></surname>
<given-names><![CDATA[M. T.]]></given-names>
</name>
<name>
<surname><![CDATA[Hutchison]]></surname>
<given-names><![CDATA[G. R.]]></given-names>
</name>
<name>
<surname><![CDATA[Murray-Rust&#8214;]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Rzepa]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Steinbeck]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Wegner]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Willighagen]]></surname>
<given-names><![CDATA[E. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The Blue Obelisk-interoperability in chemical informatics]]></article-title>
<source><![CDATA[Journal of Chemical Information and Modeling]]></source>
<year>2006</year>
<volume>46</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>991-8</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>17</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[He]]></surname>
<given-names><![CDATA[X. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Carter]]></surname>
<given-names><![CDATA[D. C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Atomic structure and chemistry of human serum albumin]]></article-title>
<source><![CDATA[Nature]]></source>
<year>1993</year>
<volume>364</volume>
<page-range>362</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>18</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hess]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Kutzner]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[van der Spoel]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Lindahl]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation]]></article-title>
<source><![CDATA[Journal of Chemical Theory and Computation]]></source>
<year>2008</year>
<volume>4</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>435-47</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>19</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hetényi]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[van der Spoel]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Blind docking of drug-sized compounds to proteins with up to a thousand residues]]></article-title>
<source><![CDATA[FEBS Letters]]></source>
<year>2006</year>
<volume>580</volume>
<numero>5</numero>
<issue>5</issue>
<page-range>1447-50</page-range></nlm-citation>
</ref>
<ref id="B20">
<label>20</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hetényi]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[van der Spoel]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Toward prediction of functional protein pockets using blind docking and pocket search algorithms]]></article-title>
<source><![CDATA[Protein Science]]></source>
<year>2011</year>
<volume>20</volume>
<numero>5</numero>
<issue>5</issue>
<page-range>880-93</page-range></nlm-citation>
</ref>
<ref id="B21">
<label>21</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Jaghoori]]></surname>
<given-names><![CDATA[M. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Bleijlevens]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Olabarriaga]]></surname>
<given-names><![CDATA[S. D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[1001 Ways to run AutoDock Vina for virtual screening]]></article-title>
<source><![CDATA[Journal of Computer-Aided Molecular Design]]></source>
<year>2016</year>
<volume>30</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>237-49</page-range></nlm-citation>
</ref>
<ref id="B22">
<label>22</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Johansson]]></surname>
<given-names><![CDATA[J. S]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Binding of the volatile anesthetic chloroform to albumin demonstrated using tryptophan fluorescence quenching]]></article-title>
<source><![CDATA[Journal of Biological Chemistry]]></source>
<year>1997</year>
<volume>272</volume>
<page-range>17961-5</page-range></nlm-citation>
</ref>
<ref id="B23">
<label>23</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Jusko]]></surname>
<given-names><![CDATA[W. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Gretch]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Plasma and Tissue Protein Binding of Drugs in Pharmacokinetics]]></article-title>
<source><![CDATA[Drug Metabolism Reviews]]></source>
<year>1976</year>
<volume>5</volume>
<page-range>43-140</page-range></nlm-citation>
</ref>
<ref id="B24">
<label>24</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kapetanovic]]></surname>
<given-names><![CDATA[I. M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach]]></article-title>
<source><![CDATA[Chemico-Biological Interactions]]></source>
<year>2008</year>
<volume>171</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>165-76</page-range></nlm-citation>
</ref>
<ref id="B25">
<label>25</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kemp]]></surname>
<given-names><![CDATA[C. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Flanagan]]></surname>
<given-names><![CDATA[J. U.]]></given-names>
</name>
<name>
<surname><![CDATA[van Eldik]]></surname>
<given-names><![CDATA[A. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Maréchal]]></surname>
<given-names><![CDATA[J. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Wolf]]></surname>
<given-names><![CDATA[C. R.]]></given-names>
</name>
<name>
<surname><![CDATA[Roberts]]></surname>
<given-names><![CDATA[G. C. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Paine]]></surname>
<given-names><![CDATA[M. J. I.]]></given-names>
</name>
<name>
<surname><![CDATA[Sutcliffe]]></surname>
<given-names><![CDATA[M. J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Validation of Model of Cytochrome P450 2D6: An in Silico Tool for Predicting Metabolism and Inhibition]]></article-title>
<source><![CDATA[Journal of Medicinal Chemistry]]></source>
<year>2004</year>
<volume>47</volume>
<numero>22</numero>
<issue>22</issue>
<page-range>5340-6</page-range></nlm-citation>
</ref>
<ref id="B26">
<label>26</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Koch-Weser]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Sellers]]></surname>
<given-names><![CDATA[E. M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Binding of Drugs to Serum Albumin]]></article-title>
<source><![CDATA[The New England Journal of Medicine]]></source>
<year>1976</year>
<volume>294</volume>
<page-range>311-6</page-range></nlm-citation>
</ref>
<ref id="B27">
<label>27</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Krivov]]></surname>
<given-names><![CDATA[G. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Shapovalov]]></surname>
<given-names><![CDATA[M. V.]]></given-names>
</name>
<name>
<surname><![CDATA[Dunbrack]]></surname>
<given-names><![CDATA[R. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Improved prediction of protein side-chain conformations with SCWRL4]]></article-title>
<source><![CDATA[Proteins]]></source>
<year>2009</year>
<volume>77</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>778-95</page-range></nlm-citation>
</ref>
<ref id="B28">
<label>28</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kumar]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Jha]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Drug Development Strategies]]></article-title>
<source><![CDATA[Anticandidal Agents]]></source>
<year>2017</year>
<page-range>63-71</page-range></nlm-citation>
</ref>
<ref id="B29">
<label>29</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Robertson]]></surname>
<given-names><![CDATA[A. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Jensen]]></surname>
<given-names><![CDATA[J. H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Very fast empirical prediction and rationalization of protein pKa values]]></article-title>
<source><![CDATA[Proteins: Structure, Function, and Bioinformatics]]></source>
<year>2005</year>
<volume>61</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>704-21</page-range></nlm-citation>
</ref>
<ref id="B30">
<label>30</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Lin]]></surname>
<given-names><![CDATA[J. H]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Mediated Drug Interactions: Molecular Mechanisms and Clinical Implications]]></article-title>
<source><![CDATA[Drug-Drug Interactions in Pharmaceutical Development]]></source>
<year>2007</year>
<page-range>159-94</page-range></nlm-citation>
</ref>
<ref id="B31">
<label>31</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Mao]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Hajduk]]></surname>
<given-names><![CDATA[P. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Randy]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Craig]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Borre]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Fesik]]></surname>
<given-names><![CDATA[S. W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Rational design of diflunisal analogues with reduced affinity for human serum albumin]]></article-title>
<source><![CDATA[Journal of the American Chemical Society]]></source>
<year>2001</year>
<volume>123</volume>
<numero>43</numero>
<issue>43</issue>
<page-range>10429-35</page-range></nlm-citation>
</ref>
<ref id="B32">
<label>32</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Moore]]></surname>
<given-names><![CDATA[G. E]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Cramming More Components Onto Integrated Circuits]]></article-title>
<source><![CDATA[Proceedings of the IEEE]]></source>
<year>1998</year>
<volume>86</volume>
<page-range>56-66</page-range></nlm-citation>
</ref>
<ref id="B33">
<label>33</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Morris]]></surname>
<given-names><![CDATA[G. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Huey]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Lindstrom]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
<name>
<surname><![CDATA[Sanner]]></surname>
<given-names><![CDATA[M. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Belew]]></surname>
<given-names><![CDATA[R. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Goodsell]]></surname>
<given-names><![CDATA[D. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Olson]]></surname>
<given-names><![CDATA[A. J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility]]></article-title>
<source><![CDATA[Journal of Computational Chemistry]]></source>
<year>2009</year>
<volume>30</volume>
<numero>16</numero>
<issue>16</issue>
<page-range>2785-91</page-range></nlm-citation>
</ref>
<ref id="B34">
<label>34</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Mote]]></surname>
<given-names><![CDATA[U. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Bhattar]]></surname>
<given-names><![CDATA[S. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Patil]]></surname>
<given-names><![CDATA[S. R.]]></given-names>
</name>
<name>
<surname><![CDATA[Kolekar]]></surname>
<given-names><![CDATA[G. B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Interaction between felodipine and bovine serum albumin: fluorescence quenching study]]></article-title>
<source><![CDATA[Luminescence]]></source>
<year>2010</year>
<volume>25</volume>
<page-range>1-8</page-range></nlm-citation>
</ref>
<ref id="B35">
<label>35</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Mullard]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[New drugs cost US$2.6 billion to develop]]></article-title>
<source><![CDATA[Nature Reviews Drug Discovery]]></source>
<year>2014</year>
<volume>13</volume>
<page-range>877</page-range></nlm-citation>
</ref>
<ref id="B36">
<label>36</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Naik]]></surname>
<given-names><![CDATA[P. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Chimatadar]]></surname>
<given-names><![CDATA[S. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Nandibewoor]]></surname>
<given-names><![CDATA[S. T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Interaction between a potent corticosteroid drug - Dexamethasone with bovine serum albumin and human serum albumin: A fluorescence quenching and Fourier transformation infrared spectroscopy study]]></article-title>
<source><![CDATA[Journal of Photochemistry and Photobiology B]]></source>
<year>2010</year>
<volume>100</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>147-59</page-range></nlm-citation>
</ref>
<ref id="B37">
<label>37</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Nocedal]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Wright]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<source><![CDATA[Numerical Optimization]]></source>
<year>2006</year>
<publisher-name><![CDATA[Springer Science &amp; Business Media]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B38">
<label>38</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ouellette]]></surname>
<given-names><![CDATA[R. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Joyce]]></surname>
<given-names><![CDATA[J. A.]]></given-names>
</name>
</person-group>
<source><![CDATA[Pharmacology for Nurse Anesthesiology]]></source>
<year>2010</year>
<publisher-name><![CDATA[Jones &amp; Bartlett Publishers]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B39">
<label>39</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ramachandran]]></surname>
<given-names><![CDATA[G. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Ramakrishnan]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Sasisekharan]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Stereochemistry of polypeptide chain configurations]]></article-title>
<source><![CDATA[Journal of Molecular Biology]]></source>
<year>1963</year>
<volume>7</volume>
<page-range>95-9</page-range></nlm-citation>
</ref>
<ref id="B40">
<label>40</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sapundzhi]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Dzimbova]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Pencheva]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<name>
<surname><![CDATA[Milanov]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Determination of the relationship between the docking studies and the biological activity of &#948;-selective enkephalin analogues]]></article-title>
<source><![CDATA[Journal of Computational Methods in Molecular Design]]></source>
<year>2015</year>
<volume>5</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>98-108</page-range></nlm-citation>
</ref>
<ref id="B41">
<label>41</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Smith]]></surname>
<given-names><![CDATA[D. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Di]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Kerns]]></surname>
<given-names><![CDATA[E. H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The effect of plasma protein binding on in vivo efficacy: misconceptions in drug discovery]]></article-title>
<source><![CDATA[Nature Reviews Drug Discovery]]></source>
<year>2010</year>
<volume>9</volume>
<page-range>929-39</page-range></nlm-citation>
</ref>
<ref id="B42">
<label>42</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Steiner]]></surname>
<given-names><![CDATA[R. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Roth]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Robbins]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The binding of thyroxine by serum albumin as measured by fluorescence quenching]]></article-title>
<source><![CDATA[Journal of Biological Chemistry]]></source>
<year>1966</year>
<volume>241</volume>
<page-range>560-7</page-range></nlm-citation>
</ref>
<ref id="B43">
<label>43</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Steinkellner]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Rader]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Thallinger]]></surname>
<given-names><![CDATA[G. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Kratky]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Gruber]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[VASCo: computation and visualization of annotated protein surface contacts]]></article-title>
<source><![CDATA[BMC Bioinformatics]]></source>
<year>2009</year>
<volume>10</volume>
<numero>32</numero>
<issue>32</issue>
</nlm-citation>
</ref>
<ref id="B44">
<label>44</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sudlow]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Birkett]]></surname>
<given-names><![CDATA[D. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Wade]]></surname>
<given-names><![CDATA[D. N.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The characterization of two specific drug binding sites on human serum albumin]]></article-title>
<source><![CDATA[Molecular Pharmacology]]></source>
<year>1978</year>
<volume>11</volume>
<page-range>824-32</page-range></nlm-citation>
</ref>
<ref id="B45">
<label>45</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Trott]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
<name>
<surname><![CDATA[Olson]]></surname>
<given-names><![CDATA[A. J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading]]></article-title>
<source><![CDATA[Journal of Computational Chemistry]]></source>
<year>2009</year>
<volume>31</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>455-61</page-range></nlm-citation>
</ref>
<ref id="B46">
<label>46</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Viswanath]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Ravikant]]></surname>
<given-names><![CDATA[D. V. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Elber]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Improving ranking of models for protein complexes with side chain modeling and atomic potentials]]></article-title>
<source><![CDATA[Proteins]]></source>
<year>2013</year>
<volume>81</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>592-606</page-range></nlm-citation>
</ref>
<ref id="B47">
<label>47</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Wu]]></surname>
<given-names><![CDATA[Q. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhao]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Study of the interaction of carbamazepine with bovine serum albumin by fluorescence quenching method]]></article-title>
<source><![CDATA[Analytical Sciences]]></source>
<year>2006</year>
<volume>22</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>435-8</page-range></nlm-citation>
</ref>
<ref id="B48">
<label>48</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Williams]]></surname>
<given-names><![CDATA[C. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Headd]]></surname>
<given-names><![CDATA[J. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Moriarty]]></surname>
<given-names><![CDATA[N. W.]]></given-names>
</name>
<name>
<surname><![CDATA[Prisant]]></surname>
<given-names><![CDATA[M. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Videau]]></surname>
<given-names><![CDATA[L. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Deis]]></surname>
<given-names><![CDATA[L. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Verma]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Keedy]]></surname>
<given-names><![CDATA[D. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Hintze]]></surname>
<given-names><![CDATA[B. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[V. B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[MolProbity: More and better reference data for improved all-atom structure validation]]></article-title>
<source><![CDATA[Protein Science]]></source>
<year>2018</year>
<volume>27</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>293-315</page-range></nlm-citation>
</ref>
<ref id="B49">
<label>49</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Word]]></surname>
<given-names><![CDATA[J. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Lovell]]></surname>
<given-names><![CDATA[S. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Richardson]]></surname>
<given-names><![CDATA[J. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Richardson]]></surname>
<given-names><![CDATA[D. C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation]]></article-title>
<source><![CDATA[Journal of Molecular Biology]]></source>
<year>1999</year>
<volume>285</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>1735-47</page-range></nlm-citation>
</ref>
<ref id="B50">
<label>50</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Niu]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Luo]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Luo]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Shen]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Jiang]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor]]></article-title>
<source><![CDATA[Bioorganic &amp; Medicinal Chemistry]]></source>
<year>2004</year>
<volume>12</volume>
<numero>23</numero>
<issue>23</issue>
<page-range>6193-208</page-range></nlm-citation>
</ref>
<ref id="B51">
<label>51</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yamasaki]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Chuang]]></surname>
<given-names><![CDATA[V. T. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Maruyama]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Otagiri]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Albumin-drug interaction and its clinical implication]]></article-title>
<source><![CDATA[Biochimica et Biophysica Acta (BBA)]]></source>
<year>2013</year>
<volume>1830</volume>
<numero>12</numero>
<issue>12</issue>
<page-range>5435-43</page-range></nlm-citation>
</ref>
<ref id="B52">
<label>52</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Liang]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Interactive association of drugs binding to human serum albumin]]></article-title>
<source><![CDATA[International Journal of Molecular Sciences]]></source>
<year>2014</year>
<volume>15</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>3580-95</page-range></nlm-citation>
</ref>
<ref id="B53">
<label>53</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zhou]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Luo]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Ding]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Exploring the binding mode of HIV-1 Vif inhibitors by blind docking, molecular dynamics and MM/GBSA]]></article-title>
<source><![CDATA[RSC Advances]]></source>
<year>2013</year>
<volume>3</volume>
<numero>22532</numero>
<issue>22532</issue>
</nlm-citation>
</ref>
</ref-list>
</back>
</article>
