<?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>0120-2804</journal-id>
<journal-title><![CDATA[Revista Colombiana de Química]]></journal-title>
<abbrev-journal-title><![CDATA[Rev.Colomb.Quim.]]></abbrev-journal-title>
<issn>0120-2804</issn>
<publisher>
<publisher-name><![CDATA[Departamento de Química,  Universidad Nacional de Colombia.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0120-28042021000100013</article-id>
<article-id pub-id-type="doi">10.15446/rev.colomb.quim.v50n1.89863</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Regulación de la actividad enzimática de la NMNAT de Leishmania braziliensis por péptidos representativos de su extremo N-terminal]]></article-title>
<article-title xml:lang="en"><![CDATA[Regulation of the enzymatic activity of the NMNAT of Leishmania braziliensis by representative peptides derived from its N-terminus end]]></article-title>
<article-title xml:lang="pt"><![CDATA[Regulação da atividade enzimática do NMNAT de Leishmania braziliensis por peptídeos representativos derivados de sua extremidade N-terminal]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ávila-Jiménez]]></surname>
<given-names><![CDATA[Santiago]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Contreras-Rodríguez]]></surname>
<given-names><![CDATA[Luis Ernesto]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Granados-Ramírez]]></surname>
<given-names><![CDATA[Carmen Giovana]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Rivera-Monroy]]></surname>
<given-names><![CDATA[Zuly Jenny]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ramírez-Hernández]]></surname>
<given-names><![CDATA[María Helena]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional de Colombia Departamento de Química ]]></institution>
<addr-line><![CDATA[Bogotá ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad Nacional de Colombia Departamento de Química ]]></institution>
<addr-line><![CDATA[Bogotá ]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>04</month>
<year>2021</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>04</month>
<year>2021</year>
</pub-date>
<volume>50</volume>
<numero>1</numero>
<fpage>13</fpage>
<lpage>19</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0120-28042021000100013&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0120-28042021000100013&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0120-28042021000100013&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen El parásito intracelular Leishmania braziliensis es el agente causal de la leishmaniasis cutánea, enfermedad endémica de zonas tropicales, cuyos tratamientos farmacológicos son tóxicos y para la cual no se dispone de una vacuna en la actualidad. Por esta razón, el estudio de las proteínas relacionadas con el metabolismo energético del parásito es relevante dada su importancia para la supervivencia del mismo. En este estudio, utilizando como secuencia plantilla los primeros 18 residuos del extremo N-terminal de la proteína nicotinamida/ nicotinato mononucleótido adenilil transferasa de L. braziliensis (Lb-NMNAT), se sintetizaron péptidos implementando la estrategia Fmoc/ tert-Butilo en una resina Rink amida MBHA. Los péptidos se purificaron por cromatografía en columna C18 y se caracterizaron mediante RP-HPLC. La proteína recombinante 6xHisLb-NMNAT se expresó en células Escherichia coli M15 y se purificó parcialmente empleando cromatografía de afinidad a metales inmovilizados. De esta proteína se confirmó su actividad enzimática a través de ensayos enzimáticos directos analizados por RP-HPLC. Los péptidos sintetizados se utilizaron para evaluar su efecto sobre la actividad enzimática de la proteína 6xHisLb-NMNAT, observándose una modulación diferencial, lo cual resulta promisorio para el diseño de herramientas quimioterapéuticas basadas en la secuencia N-terminal de la proteína Lb-NMNAT.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract The intracellular parasite Leishmania braziliensis is the etiological agent of cutaneous leishmaniasis, an endemic disease in the tropics, whose pharmacological treatments are toxic and for which there is currently no vaccine. For this reason, the study of proteins related to the energy metabolism of the parasite is relevant given its importance for its survival. In this study, based on the first 18 residues of the N-terminal end of the nicotinamide/nicotinate mononucleotide adenylyl transferase protein from L. braziliensis (Lb-NMNAT) as a template, peptides were synthesized implementing the Fmoc/tert-Butyl strategy in a Rink amide MBHA resin. The peptides were purified by C18 column chromatography and characterized by RP-HPLC. The recombinant 6xHisLb-NMNAT protein was expressed in Escherichia coli M15 cells and partially purified using immobilized metal affinity chromatography. The enzymatic activity of the protein was confirmed through direct enzymatic assays analyzed by RP-HPLC. The synthesized peptides were used to evaluate their effect on the enzymatic activity of the 6xHisLb-NMNAT protein, observing a differential modulation, which is promising for the design of chemotherapeutic tools based on the N-terminal sequence of the Lb-NMNAT protein.]]></p></abstract>
<abstract abstract-type="short" xml:lang="pt"><p><![CDATA[Resumo O parasita intracelular Leishmania braziliensis é o agente causador da leishmaniose tegumentar, doença endêmica nos trópicos, cujos tratamentos farmacológicos são tóxicos e para a qual não existe vacina atualmente. Por este motivo, o estudo de proteínas relacionadas ao metabolismo energético do parasita é relevante dada a sua importância para a sua sobrevivência. Neste estudo, usando os primeiros 18 resíduos da extremidade N-terminal da proteína adenilil transferase de nicotinamida/mononucleotídeo nicotinato de L. braziliensis (Lb-NMNAT) como uma sequência modelo, os peptídeos foram sintetizados implementando a estratégia Fmoc/tert-Butil em uma resina Rink amida MBHA. Os peptídeos foram purificados por cromatografia em coluna C18 e caracterizados por RP-HPLC. A proteína recombinante 6xHisLb-NMNAT foi expressa em células de Escherichia coli M15 e parcialmente purificada usando cromatografia de afinidade com metal imobilizado. Desta proteína, sua atividade enzimática foi confirmada por meio de ensaios enzimáticos diretos analisados por RP-HPLC. Os peptídeos sintetizados foram utilizados para avaliar seu efeito na atividade enzimática da proteína 6xHisLb-NMNAT, observando uma modulação diferencial, o que é promissor para o projeto de ferramentas quimioterápicas baseadas na sequência N-terminal da proteína Lb-NMNAT]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[NMNAT]]></kwd>
<kwd lng="es"><![CDATA[Leishmania braziliensis]]></kwd>
<kwd lng="es"><![CDATA[síntesis de péptidos]]></kwd>
<kwd lng="en"><![CDATA[NMNAT]]></kwd>
<kwd lng="en"><![CDATA[Leishmania braziliensis]]></kwd>
<kwd lng="en"><![CDATA[peptide synthesis]]></kwd>
<kwd lng="pt"><![CDATA[NMNAT]]></kwd>
<kwd lng="pt"><![CDATA[Leishmania braziliensis]]></kwd>
<kwd lng="pt"><![CDATA[síntese de peptídeos]]></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[Burza]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Croft]]></surname>
<given-names><![CDATA[S. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Boelaert]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Leishmaniasis]]></article-title>
<source><![CDATA[The Lancet]]></source>
<year>2018</year>
<volume>392</volume>
<numero>10151</numero>
<issue>10151</issue>
<page-range>951-70</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>[2]</label><nlm-citation citation-type="">
<collab>OMS (Organización Mundial de la Salud)</collab>
<source><![CDATA[Informe de una reunión del Comité de Expertos de la OMS sobre el Control de las Leishmaniasis", Serie de Informes Técnicos 949]]></source>
<year>2010</year>
</nlm-citation>
</ref>
<ref id="B3">
<label>[3]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Contreras]]></surname>
<given-names><![CDATA[L. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Neme]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Ramírez-Hernández]]></surname>
<given-names><![CDATA[M. H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Identification and functional evaluation of Leishmania braziliensis Nicotinamide Mononucleotide Adenylyltransferase]]></article-title>
<source><![CDATA[Protein. Expr. Purif]]></source>
<year>2015</year>
<volume>115</volume>
<page-range>26-33</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[Berger]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Ramírez-Hernández]]></surname>
<given-names><![CDATA[M. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Ziegler]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The new life of a centenarian: signalling functions of NAD(P)]]></article-title>
<source><![CDATA[Trends Biochem. Sci]]></source>
<year>2004</year>
<volume>29</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>111-8</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[Gossmann]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Ziegler]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Puntervoll]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Figueiredo]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Schuster]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Heiland]]></surname>
<given-names><![CDATA[I]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[NAD(+) Biosynthesis and Salvage: a Phylogenetic Perspective]]></article-title>
<source><![CDATA[The FEBS Journal]]></source>
<year>2012</year>
<volume>279</volume>
<numero>18</numero>
<issue>18</issue>
<page-range>3355-63</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[Foster]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Moat]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Nicotinamide Adenine Dinucleotide Biosynthesis and Pyridine Nucleotide Cycle Metabolism in Microbial Systems]]></article-title>
<source><![CDATA[Microbiological Reviews]]></source>
<year>1980</year>
<volume>44</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>83-105</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[Weidele]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Beneke]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Burkle]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The NAD+ precursor nicotinic acid improves genomic integrity in human peripheral blood mononuclear cells after X-irradiation]]></article-title>
<source><![CDATA[DNA Repair]]></source>
<year>2017</year>
<volume>52</volume>
<page-range>12-23</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>[8]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ishikawa]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Miyagi]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Haishima]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Ishikawa]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Nagano]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Yamaguchi]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Hihara]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Kawai-Yamada]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Metabolomic analysis of NAD kinase- deficient mutants of the cyanobacterium Synechocystis sp. PCC 6803]]></article-title>
<source><![CDATA[Journal of Plant Physiology]]></source>
<year>2016</year>
<volume>205</volume>
<page-range>105-12</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[Kirsch]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[NAD(P)H, a Directly Operating Antioxidant?]]></article-title>
<source><![CDATA[The FASEB Journal]]></source>
<year>2001</year>
<volume>15</volume>
<numero>9</numero>
<issue>9</issue>
<page-range>1569-74</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[Petrat]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Pindiur]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Kirsch]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[de Groot]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[NAD(P)H, a Primary Target of 1O2 in Mitochondria of Intact Cells]]></article-title>
<source><![CDATA[The Journal of Biological Chemistry]]></source>
<year>2003</year>
<volume>278</volume>
<numero>5</numero>
<issue>5</issue>
<page-range>3298-307</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[Yalowitz]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Xiao]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Biju]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Antony]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Cummings]]></surname>
<given-names><![CDATA[O]]></given-names>
</name>
<name>
<surname><![CDATA[Deeg]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Jayara]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Characterization of human brain nicotinamide 5'-mononucleotide adenylyltransferase-2 and expression in human pancreas]]></article-title>
<source><![CDATA[Biochem. J]]></source>
<year>2004</year>
<volume>377</volume>
<page-range>317-26</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>[12]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Corinna]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Dolle]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Gossmann]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Agledal]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Niere]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Ziegler]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Isoform-Specific Targeting and Interaction Domains in Human Nicotinamide Mononucleotide Adenylyltransferases]]></article-title>
<source><![CDATA[The Journal of Biological Chemistry]]></source>
<year>2010</year>
<volume>285</volume>
<numero>24</numero>
<issue>24</issue>
<page-range>18868-76</page-range></nlm-citation>
</ref>
<ref id="B13">
<label>[13]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gazzaniga]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Stebbins]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Chang]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[McPeek]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Brenner]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Microbial NAD Metabolism: Lessons from Comparative Genomics]]></article-title>
<source><![CDATA[Microbiology and Molecular Biology Reviews]]></source>
<year>2009</year>
<volume>73</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>529-41</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>[14]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Pastor]]></surname>
<given-names><![CDATA[J. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Granados]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Carulla]]></surname>
<given-names><![CDATA[N]]></given-names>
</name>
<name>
<surname><![CDATA[Rabanal]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Giralt]]></surname>
<given-names><![CDATA[E]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Redesign of protein domains using one-bead-one-compound combinatorial chemistry]]></article-title>
<source><![CDATA[The Journal of American Chemical Society]]></source>
<year>2007</year>
<volume>129</volume>
<numero>48</numero>
<issue>48</issue>
<page-range>14922-32</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[D'Angelo]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Raffaelli]]></surname>
<given-names><![CDATA[N]]></given-names>
</name>
<name>
<surname><![CDATA[Dabusti]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Lorenzi]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Magni]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Rizzi]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structure of nicotinamide mononucleotide Adenylyltransferase: a key enzyme in NAD+ biosynthesis]]></article-title>
<source><![CDATA[Structure]]></source>
<year>2000</year>
<volume>8</volume>
<page-range>993-1004</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[Rivera]]></surname>
<given-names><![CDATA[Z]]></given-names>
</name>
<name>
<surname><![CDATA[Granados]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Pinto]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Varon]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Carvajal]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Chaves]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Patarroyo]]></surname>
<given-names><![CDATA[M. E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Double dimer peptide constructs are immunogenic and protective against Plasmodium falciparum in the experimental Aotus monkey model]]></article-title>
<source><![CDATA[J. Pept. Res]]></source>
<year>2002</year>
<volume>59</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>62-70</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[Yang]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Yan]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Poisson]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The I-TASSER Suite: protein structure and function prediction]]></article-title>
<source><![CDATA[Nat. Methods]]></source>
<year>2015</year>
<volume>12</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>7-8</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[Bhattacharya]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Nowotny]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Cao]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Cheng]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[3Drefine: an interactive web server for efficient protein structure refinement]]></article-title>
<source><![CDATA[Nucleic Acids Res]]></source>
<year>2016</year>
<volume>44</volume>
<numero>W1</numero>
<issue>W1</issue>
<page-range>W406-9</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[Zhang]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Liang]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Atomic-level protein structure refinement using fragment-guided molecular dynamics conformation sampling]]></article-title>
<source><![CDATA[Structure]]></source>
<year>2011</year>
<volume>19</volume>
<numero>12</numero>
<issue>12</issue>
<page-range>1784-95</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[Xu]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Improving the physical realism and structural accuracy of protein models by a two-step atomic-level energy minimization]]></article-title>
<source><![CDATA[Biophys. J]]></source>
<year>2011</year>
<volume>101</volume>
<numero>10</numero>
<issue>10</issue>
<page-range>2525-34</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[Eisenberg]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Luthy]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Bowie]]></surname>
<given-names><![CDATA[J. U.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[VERIFY3D: assessment of protein models with three-dimensional profiles]]></article-title>
<source><![CDATA[Methods Enzymol]]></source>
<year>1997</year>
<volume>277</volume>
<page-range>396-404</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[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 Sci]]></source>
<year>1993</year>
<volume>2</volume>
<numero>9</numero>
<issue>9</issue>
<page-range>1511-9</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[Pettersen]]></surname>
<given-names><![CDATA[E. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Goddard]]></surname>
<given-names><![CDATA[T. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Huang]]></surname>
<given-names><![CDATA[C. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Couch]]></surname>
<given-names><![CDATA[G. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Greenblatt]]></surname>
<given-names><![CDATA[D. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Meng]]></surname>
<given-names><![CDATA[E. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Ferrin]]></surname>
<given-names><![CDATA[T. E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[UCSF Chimera: a visualization system for exploratory research and analysis]]></article-title>
<source><![CDATA[J. Comput. Chem]]></source>
<year>2004</year>
<volume>25</volume>
<numero>13</numero>
<issue>13</issue>
<page-range>1605-12</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[Yang]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[A]]></surname>
<given-names><![CDATA[Roy]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment]]></article-title>
<source><![CDATA[Bioinformatics]]></source>
<year>2013</year>
<volume>29</volume>
<numero>20</numero>
<issue>20</issue>
<page-range>2588-95</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[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[J. Comput. Chem]]></source>
<year>2010</year>
<volume>31</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>455-61</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[Hanwell]]></surname>
<given-names><![CDATA[M. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Curtis]]></surname>
<given-names><![CDATA[D. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Lonie]]></surname>
<given-names><![CDATA[D. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Vandermeersch]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Zurek]]></surname>
<given-names><![CDATA[E]]></given-names>
</name>
<name>
<surname><![CDATA[Hutchison]]></surname>
<given-names><![CDATA[G. R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Avogadro: an advanced semantic chemical editor, visualization, and analysis platform]]></article-title>
<source><![CDATA[J. Cheminform]]></source>
<year>2012</year>
<volume>4</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>17</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
