{"id":"https://openalex.org/W1792011111","doi":"https://doi.org/10.3233/ci-2009-0017","title":"Illuminator: Increasing Synergies Between Medicinal And Computational Chemists","display_name":"Illuminator: Increasing Synergies Between Medicinal And Computational Chemists","publication_year":2012,"publication_date":"2012-01-01","ids":{"openalex":"https://openalex.org/W1792011111","doi":"https://doi.org/10.3233/ci-2009-0017","mag":"1792011111","pmid":"https://pubmed.ncbi.nlm.nih.gov/22475753"},"language":"en","primary_location":{"id":"doi:10.3233/ci-2009-0017","is_oa":true,"landing_page_url":"https://doi.org/10.3233/ci-2009-0017","pdf_url":"https://content.iospress.com:443/download/in-silico-biology/ci000017?id=in-silico-biology%2Fci000017","source":{"id":"https://openalex.org/S120694666","display_name":"In Silico Biology","issn_l":"1386-6338","issn":["1386-6338","1434-3207"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"In Silico Biology: Journal of Biological Systems Modeling and Multi-Scale Simulation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://content.iospress.com:443/download/in-silico-biology/ci000017?id=in-silico-biology%2Fci000017","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5022225535","display_name":"Alberto Gobbi","orcid":"https://orcid.org/0000-0003-0434-9237"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Alberto Gobbi","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026455540","display_name":"Matthew Lardy","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Matthew Lardy","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111488505","display_name":"Sun Hee Kim","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sun Hee Kim","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088703837","display_name":"Frank Ruebsam","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Frank Ruebsam","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028708159","display_name":"M. T. Tran","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Martin Tran","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108478289","display_name":"Stephen E. Webber","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Stephen E. Webber","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110838300","display_name":"Alan X. Xiang","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Alan X. Xiang","raw_affiliation_strings":["Anadys Pharmaceuticals, San Diego, CA, USA"],"affiliations":[{"raw_affiliation_string":"Anadys Pharmaceuticals, San Diego, CA, USA","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5022225535"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.12394924,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"11","issue":"1-2","first_page":"83","last_page":"93"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9815000295639038,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9815000295639038,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T13937","display_name":"Genetics, Bioinformatics, and Biomedical Research","score":0.9248999953269958,"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/computer-science","display_name":"Computer science","score":0.6935795545578003},{"id":"https://openalex.org/keywords/computational-complexity-theory","display_name":"Computational complexity theory","score":0.5424083471298218},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.4460045397281647},{"id":"https://openalex.org/keywords/user-interface","display_name":"User interface","score":0.43215441703796387},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.43152034282684326},{"id":"https://openalex.org/keywords/computational-problem","display_name":"Computational problem","score":0.4272884428501129},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.4113768935203552},{"id":"https://openalex.org/keywords/computational-model","display_name":"Computational model","score":0.41104254126548767},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.4013259708881378},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.22409707307815552},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2134876549243927},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.18232840299606323},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.08739513158798218},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.07130330801010132}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6935795545578003},{"id":"https://openalex.org/C179799912","wikidata":"https://www.wikidata.org/wiki/Q205084","display_name":"Computational complexity theory","level":2,"score":0.5424083471298218},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.4460045397281647},{"id":"https://openalex.org/C89505385","wikidata":"https://www.wikidata.org/wiki/Q47146","display_name":"User interface","level":2,"score":0.43215441703796387},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.43152034282684326},{"id":"https://openalex.org/C19754495","wikidata":"https://www.wikidata.org/wiki/Q3435924","display_name":"Computational problem","level":2,"score":0.4272884428501129},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4113768935203552},{"id":"https://openalex.org/C66024118","wikidata":"https://www.wikidata.org/wiki/Q1122506","display_name":"Computational model","level":2,"score":0.41104254126548767},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.4013259708881378},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.22409707307815552},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2134876549243927},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.18232840299606323},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.08739513158798218},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.07130330801010132},{"id":"https://openalex.org/C129307140","wikidata":"https://www.wikidata.org/wiki/Q6795880","display_name":"Maximum bubble pressure method","level":3,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C157915830","wikidata":"https://www.wikidata.org/wiki/Q2928001","display_name":"Bubble","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":"Q000379","qualifier_name":"methods","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":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.3233/ci-2009-0017","is_oa":true,"landing_page_url":"https://doi.org/10.3233/ci-2009-0017","pdf_url":"https://content.iospress.com:443/download/in-silico-biology/ci000017?id=in-silico-biology%2Fci000017","source":{"id":"https://openalex.org/S120694666","display_name":"In Silico Biology","issn_l":"1386-6338","issn":["1386-6338","1434-3207"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"In Silico Biology: Journal of Biological Systems Modeling and Multi-Scale Simulation","raw_type":"journal-article"},{"id":"pmid:22475753","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22475753","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":"In silico biology","raw_type":null}],"best_oa_location":{"id":"doi:10.3233/ci-2009-0017","is_oa":true,"landing_page_url":"https://doi.org/10.3233/ci-2009-0017","pdf_url":"https://content.iospress.com:443/download/in-silico-biology/ci000017?id=in-silico-biology%2Fci000017","source":{"id":"https://openalex.org/S120694666","display_name":"In Silico Biology","issn_l":"1386-6338","issn":["1386-6338","1434-3207"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"In Silico Biology: Journal of Biological Systems Modeling and Multi-Scale Simulation","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5199999809265137}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W1792011111.pdf"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4249702239","https://openalex.org/W2058799936","https://openalex.org/W2901080149","https://openalex.org/W1512399864","https://openalex.org/W4205799190","https://openalex.org/W2378302565","https://openalex.org/W4402742378","https://openalex.org/W17854358","https://openalex.org/W4214707141","https://openalex.org/W3196960964"],"abstract_inverted_index":{"We":[0,65],"present":[1],"Illuminator,":[2],"a":[3,39,50],"user-friendly":[4],"web":[5],"front":[6],"end":[7],"to":[8,23,26,31,45,74,102],"computational":[9,32,59,121],"models":[10,54],"such":[11,36],"as":[12],"docking":[13],"and":[14,28,117],"3D":[15],"shape":[16],"similarity":[17],"calculations.":[18],"Illuminator":[19,71,95],"was":[20,72],"specifically":[21],"created":[22],"allow":[24],"non-experts":[25],"design":[27,77],"submit":[29,46],"molecules":[30],"chemistry":[33],"programs.":[34],"As":[35],"it":[37],"provides":[38],"simple":[40],"user":[41],"interface":[42],"allowing":[43],"users":[44],"jobs":[47,91],"starting":[48],"from":[49],"2D":[51],"structure.":[52],"The":[53],"provided":[55],"are":[56],"pre-optimized":[57],"by":[58],"chemists":[60],"for":[61,120],"each":[62],"specific":[63],"target.":[64],"provide":[66],"an":[67],"example":[68],"of":[69,78,106],"how":[70],"used":[73],"prioritize":[75],"the":[76,82,104],"molecular":[79],"substituents":[80],"in":[81,92],"Anadys":[83,101],"HCV":[84],"Polymerase":[85],"(NS5B)":[86],"project.":[87],"With":[88],"7500":[89],"submitted":[90],"1.5":[93],"years,":[94],"has":[96,110],"allowed":[97],"project":[98,115],"teams":[99],"at":[100],"accelerate":[103],"optimization":[105],"novel":[107],"leads.":[108],"It":[109],"also":[111],"improved":[112],"communication":[113],"between":[114],"members":[116],"increased":[118],"demand":[119],"drug":[122],"discovery":[123],"tools.":[124]},"counts_by_year":[{"year":2016,"cited_by_count":1}],"updated_date":"2026-03-11T06:11:40.159057","created_date":"2025-10-10T00:00:00"}