{"id":"https://openalex.org/W2056339573","doi":"https://doi.org/10.1021/ci500069y","title":"Elucidating a Key Component of Cancer Metastasis: CXCL12 (SDF-1\u03b1) Binding to CXCR4","display_name":"Elucidating a Key Component of Cancer Metastasis: CXCL12 (SDF-1\u03b1) Binding to CXCR4","publication_year":2014,"publication_date":"2014-03-24","ids":{"openalex":"https://openalex.org/W2056339573","doi":"https://doi.org/10.1021/ci500069y","mag":"2056339573","pmid":"https://pubmed.ncbi.nlm.nih.gov/24660779"},"language":"en","primary_location":{"id":"doi:10.1021/ci500069y","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci500069y","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci500069y","source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/ci500069y","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5073424627","display_name":"Phanourios Tamamis","orcid":"https://orcid.org/0000-0002-3342-2651"},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Phanourios Tamamis","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Princeton University, New Jersey 08544, United States","Department of Chemical and Biological Engineering, Princeton University , New Jersey 08544, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Princeton University, New Jersey 08544, United States","institution_ids":["https://openalex.org/I20089843"]},{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Princeton University , New Jersey 08544, United States","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5050187529","display_name":"Christodoulos A. Floudas","orcid":null},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christodoulos A. Floudas","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Princeton University, New Jersey 08544, United States","Department of Chemical and#R#Biological Engineering, Princeton University, New Jersey 08544, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Princeton University, New Jersey 08544, United States","institution_ids":["https://openalex.org/I20089843"]},{"raw_affiliation_string":"Department of Chemical and#R#Biological Engineering, Princeton University, New Jersey 08544, United States","institution_ids":["https://openalex.org/I20089843"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5073424627"],"corresponding_institution_ids":["https://openalex.org/I20089843"],"apc_list":null,"apc_paid":null,"fwci":2.5393,"has_fulltext":false,"cited_by_count":55,"citation_normalized_percentile":{"value":0.90490643,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"54","issue":"4","first_page":"1174","last_page":"1188"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11532","display_name":"Chemokine receptors and signaling","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11532","display_name":"Chemokine receptors and signaling","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10580","display_name":"Immunotherapy and Immune Responses","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2403","display_name":"Immunology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cxcr4","display_name":"CXCR4","score":0.6306287050247192},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5625078678131104},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4999518394470215},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4968757927417755},{"id":"https://openalex.org/keywords/chemotaxis","display_name":"Chemotaxis","score":0.4936927258968353},{"id":"https://openalex.org/keywords/chemokine","display_name":"Chemokine","score":0.4644612669944763},{"id":"https://openalex.org/keywords/chemokine-receptor","display_name":"Chemokine receptor","score":0.4139525294303894},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.39095577597618103},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3761407434940338},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3384917080402374},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.32640522718429565},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.28663119673728943},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.10482332110404968}],"concepts":[{"id":"https://openalex.org/C129470790","wikidata":"https://www.wikidata.org/wiki/Q415718","display_name":"CXCR4","level":4,"score":0.6306287050247192},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5625078678131104},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4999518394470215},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4968757927417755},{"id":"https://openalex.org/C54166955","wikidata":"https://www.wikidata.org/wiki/Q658145","display_name":"Chemotaxis","level":3,"score":0.4936927258968353},{"id":"https://openalex.org/C13373296","wikidata":"https://www.wikidata.org/wiki/Q421866","display_name":"Chemokine","level":3,"score":0.4644612669944763},{"id":"https://openalex.org/C12823836","wikidata":"https://www.wikidata.org/wiki/Q24720618","display_name":"Chemokine receptor","level":4,"score":0.4139525294303894},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.39095577597618103},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3761407434940338},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3384917080402374},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.32640522718429565},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.28663119673728943},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.10482332110404968}],"mesh":[{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009362","descriptor_name":"Neoplasm Metastasis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009362","descriptor_name":"Neoplasm Metastasis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009362","descriptor_name":"Neoplasm Metastasis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019718","descriptor_name":"Receptors, CXCR4","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019718","descriptor_name":"Receptors, CXCR4","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019718","descriptor_name":"Receptors, CXCR4","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019718","descriptor_name":"Receptors, CXCR4","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019718","descriptor_name":"Receptors, CXCR4","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019718","descriptor_name":"Receptors, CXCR4","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054377","descriptor_name":"Chemokine CXCL12","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054377","descriptor_name":"Chemokine CXCL12","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054377","descriptor_name":"Chemokine CXCL12","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054377","descriptor_name":"Chemokine CXCL12","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054377","descriptor_name":"Chemokine CXCL12","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054377","descriptor_name":"Chemokine CXCL12","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci500069y","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci500069y","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci500069y","source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:24660779","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24660779","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.806.9175","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.806.9175","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ftp://ftp.ncbi.nlm.nih.gov/pub/pmc/9d/ea/ci500069y.PMC4004218.pdf","raw_type":"text"},{"id":"pmh:oai:europepmc.org:3332523","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4004218","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/ci500069y","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci500069y","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci500069y","source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.4300000071525574}],"awards":[],"funders":[{"id":"https://openalex.org/F4320306920","display_name":"Cooley's Anemia Foundation","ror":"https://ror.org/03hv05g61"},{"id":"https://openalex.org/F4320309292","display_name":"Princeton University","ror":"https://ror.org/00hx57361"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2056339573.pdf","grobid_xml":"https://content.openalex.org/works/W2056339573.grobid-xml"},"referenced_works_count":98,"referenced_works":["https://openalex.org/W115619992","https://openalex.org/W154306038","https://openalex.org/W1528751727","https://openalex.org/W1531083786","https://openalex.org/W1568533821","https://openalex.org/W1608194978","https://openalex.org/W1922705469","https://openalex.org/W1964083898","https://openalex.org/W1966232493","https://openalex.org/W1969236082","https://openalex.org/W1969826614","https://openalex.org/W1972489993","https://openalex.org/W1976767301","https://openalex.org/W1982861439","https://openalex.org/W1983575915","https://openalex.org/W1986986419","https://openalex.org/W1991889120","https://openalex.org/W1999153777","https://openalex.org/W1999650405","https://openalex.org/W2016235555","https://openalex.org/W2017994171","https://openalex.org/W2018448673","https://openalex.org/W2023256284","https://openalex.org/W2023322357","https://openalex.org/W2023624246","https://openalex.org/W2024011553","https://openalex.org/W2027054953","https://openalex.org/W2027185963","https://openalex.org/W2027408247","https://openalex.org/W2030060971","https://openalex.org/W2038937310","https://openalex.org/W2040229531","https://openalex.org/W2040809566","https://openalex.org/W2045205389","https://openalex.org/W2049820772","https://openalex.org/W2050333027","https://openalex.org/W2051244835","https://openalex.org/W2051560996","https://openalex.org/W2055905702","https://openalex.org/W2056270264","https://openalex.org/W2056918364","https://openalex.org/W2057313199","https://openalex.org/W2060618800","https://openalex.org/W2060698386","https://openalex.org/W2061787402","https://openalex.org/W2062148688","https://openalex.org/W2066735451","https://openalex.org/W2070590745","https://openalex.org/W2071858539","https://openalex.org/W2076262340","https://openalex.org/W2079939193","https://openalex.org/W2081165906","https://openalex.org/W2081273376","https://openalex.org/W2081921364","https://openalex.org/W2092900906","https://openalex.org/W2093235344","https://openalex.org/W2097925286","https://openalex.org/W2099376832","https://openalex.org/W2100386815","https://openalex.org/W2100430314","https://openalex.org/W2100627460","https://openalex.org/W2101362633","https://openalex.org/W2103970768","https://openalex.org/W2104127556","https://openalex.org/W2107317356","https://openalex.org/W2109325347","https://openalex.org/W2113012529","https://openalex.org/W2113472355","https://openalex.org/W2115359460","https://openalex.org/W2116917901","https://openalex.org/W2118477785","https://openalex.org/W2121548063","https://openalex.org/W2122977308","https://openalex.org/W2129003172","https://openalex.org/W2132262459","https://openalex.org/W2134603265","https://openalex.org/W2136180730","https://openalex.org/W2140193755","https://openalex.org/W2141419529","https://openalex.org/W2141837666","https://openalex.org/W2141920771","https://openalex.org/W2142755853","https://openalex.org/W2143059714","https://openalex.org/W2152853006","https://openalex.org/W2153576284","https://openalex.org/W2154728363","https://openalex.org/W2155728143","https://openalex.org/W2156323704","https://openalex.org/W2162681983","https://openalex.org/W2162995424","https://openalex.org/W2163572306","https://openalex.org/W2169584423","https://openalex.org/W2171138378","https://openalex.org/W2328484742","https://openalex.org/W2329829794","https://openalex.org/W2979141093","https://openalex.org/W3104163644","https://openalex.org/W4247268236"],"related_works":["https://openalex.org/W2039065953","https://openalex.org/W2289050973","https://openalex.org/W2352516768","https://openalex.org/W2386814436","https://openalex.org/W2080160378","https://openalex.org/W2094573329","https://openalex.org/W2959910393","https://openalex.org/W2044437618","https://openalex.org/W2365437843","https://openalex.org/W2609392152"],"abstract_inverted_index":{"The":[0,162,194],"chemotactic":[1],"signaling":[2,39],"induced":[3],"by":[4,50,87,257],"the":[5,37,51,55,82,96,115,134,142,147,156,165,197,205,214,225,236,252,260,270,276,286],"binding":[6,127,237,279],"of":[7,16,54,65,85,118,152,160,164,174,196,238,255],"chemokine":[8,12],"CXCL12":[9,119,135,153,187,258,268],"(SDF-1\u03b1)":[10],"to":[11,78,93,171,204,221,234],"receptor":[13],"CXCR4":[14,30,86,121,143,192,256,278,288],"is":[15,21,31,40,92,104,138,169],"significant":[17],"biological":[18],"importance":[19],"and":[20,47,74,111,120,128,146,176,189,223,248,259,269],"a":[22,62,249],"potential":[23],"therapeutic":[24],"axis":[25,57],"against":[26],"HIV-1.":[27],"However,":[28],"as":[29,211,213,281],"overexpressed":[32],"in":[33,42,58,105,244],"certain":[34],"cancer":[35],"cells,":[36],"CXCL12:CXCR4":[38,56,100,166],"involved":[41],"tumor":[43],"metastasis,":[44],"progression,":[45],"angiogenesis,":[46],"survival.":[48],"Motivated":[49],"pivotal":[52],"role":[53,117],"cancer,":[59],"we":[60],"employed":[61],"comprehensive":[63],"set":[64],"computational":[66,198],"tools,":[67],"predominantly":[68],"based":[69],"on":[70],"free":[71],"energy":[72],"calculations":[73],"molecular":[75,83,253],"dynamics":[76],"simulations,":[77],"obtain":[79],"insights":[80],"into":[81,114],"recognition":[84,254],"CXCL12.":[88],"We":[89,228],"report,":[90],"what":[91],"our":[94],"knowledge,":[95],"first":[97],"computationally":[98],"derived":[99],"complex":[101,167,245],"structure":[102,168],"which":[103,123],"remarkable":[106],"agreement":[107],"with":[108,126,155,246,285],"experimental":[109],"findings":[110],"sheds":[112],"light":[113],"functional":[116],"residues":[122,188],"are":[124],"associated":[125],"signaling.":[129],"Our":[130],"results":[131],"reveal":[132],"that":[133,266],"N-terminal":[136,158],"domain":[137,151,159],"firmly":[139],"bound":[140],"within":[141],"transmembrane":[144],"domain,":[145],"central":[148],"24-50":[149],"residue":[150],"interacts":[154],"upper":[157],"CXCR4.":[161],"stability":[163],"attributed":[170,203],"an":[172,239],"abundance":[173],"nonpolar":[175],"polar":[177],"intermolecular":[178],"interactions,":[179],"including":[180],"salt":[181],"bridges":[182],"formed":[183],"between":[184,251],"positively":[185],"charged":[186,191],"negatively":[190],"residues.":[193,289],"success":[195],"protocol":[199,233],"can":[200],"mainly":[201],"be":[202],"nearly":[206],"exhaustive":[207],"docking":[208],"conformational":[209],"search,":[210],"well":[212],"heterogeneous":[215],"dielectric":[216],"implicit":[217],"water-membrane-water":[218],"model":[219],"used":[220],"simulate":[222],"select":[224],"optimum":[226],"conformations.":[227],"also":[229],"recently":[230],"utilized":[231],"this":[232],"elucidate":[235],"HIV-1":[240,261,271],"gp120":[241,262,272],"V3":[242,263,273],"loop":[243,264,274],"CXCR4,":[247],"comparison":[250],"shows":[265],"both":[267],"share":[275],"same":[277,287],"pocket,":[280],"they":[282],"mostly":[283],"interact":[284]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":7},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4}],"updated_date":"2026-04-05T17:49:38.594831","created_date":"2025-10-10T00:00:00"}