<?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>S1405-55462019000200569</article-id>
<article-id pub-id-type="doi">10.13053/cys-23-2-2541</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Algoritmo evolutivo híbrido para optimización geométrica molecular]]></article-title>
<article-title xml:lang="en"><![CDATA[Hybrid Evolutionary Algorithm for Molecular Geometric Optimization]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[García Blanquel]]></surname>
<given-names><![CDATA[Ericka]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[García Blanquel]]></surname>
<given-names><![CDATA[Claudia]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Luna-García]]></surname>
<given-names><![CDATA[René]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Instituto Politécnico Nacional Centro de Investigación en Computación ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>06</month>
<year>2019</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>06</month>
<year>2019</year>
</pub-date>
<volume>23</volume>
<numero>2</numero>
<fpage>569</fpage>
<lpage>582</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1405-55462019000200569&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1405-55462019000200569&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1405-55462019000200569&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen: En este trabajo se desarrolla un algoritmo híbrido para el problema de optimización geométrica molecular el cual está clasificado como NP-completo. La propuesta se basa en combinar un algoritmo evolutivo con un algoritmo de agrupamiento para equilibrar la exploración y la explotación del espacio de búsqueda. Este algoritmo trabaja con la estructura secundaria de una molécula de proteína, utilizando como componentes principales a los ángulos diedros &#966;(phi) y &#968;(psi) de la cadena principal, ya que de ellos depende directamente la energía del sistema. Estos ángulos se describen en una gráfica de Ramachandran y la búsqueda local trabaja sobre las regiones de valores permitidos para &#966; y &#968; de esta gráfica, de tal manera que la búsqueda es dirigida hacia las conformaciones de menor energía.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract: In this work a hybrid algorithm is developed to solve a geometric optimization problem which is classified as NP-complete problem. The proposal effectively combines an evolutionary algorithm with a clustering algorithm to balance the exploration and exploitation of the search space. This algorithm works with the secondary structure of the molecule using the backbone dihedral angles &#966;(phi) and &#968;(psi) as the main components because de energy depend directly of them, the angles &#966; and &#968; are described in a Ramachandran map and the local search is guided towards the conformations of the lowest energy.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Optimización geométrica]]></kwd>
<kwd lng="es"><![CDATA[algoritmo evolutivo]]></kwd>
<kwd lng="es"><![CDATA[algoritmo de agrupamiento]]></kwd>
<kwd lng="en"><![CDATA[Geometric optimization]]></kwd>
<kwd lng="en"><![CDATA[evolutionary algorithm]]></kwd>
<kwd lng="en"><![CDATA[clustering algorithm]]></kwd>
</kwd-group>
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