{"id":"https://openalex.org/W2152586656","doi":"https://doi.org/10.1093/bioinformatics/btl040","title":"Generation of 3D templates of active sites of proteins with rigid prosthetic groups","display_name":"Generation of 3D templates of active sites of proteins with rigid prosthetic groups","publication_year":2006,"publication_date":"2006-02-10","ids":{"openalex":"https://openalex.org/W2152586656","doi":"https://doi.org/10.1093/bioinformatics/btl040","mag":"2152586656","pmid":"https://pubmed.ncbi.nlm.nih.gov/16473871"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btl040","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btl040","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/22/10/1183/48838121/bioinformatics_22_10_1183.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/22/10/1183/48838121/bioinformatics_22_10_1183.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5005552930","display_name":"Jean\u2010Christophe Nebel","orcid":"https://orcid.org/0000-0003-1812-5269"},"institutions":[{"id":"https://openalex.org/I205051169","display_name":"Kingston University London","ror":"https://ror.org/05bbqza97","country_code":"GB","type":"education","lineage":["https://openalex.org/I205051169"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Jean-Christophe Nebel","raw_affiliation_strings":["Faculty of Computing, Information Systems & Mathematics, Kingston University \u00a0 Kingston-upon-Thames, Surrey KT1 2EE, UK","Faculty of Computing, Information Systems & Mathematics, Kingston University, Kingston upon Thames, Surrey KT1 2EE, UK#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Computing, Information Systems & Mathematics, Kingston University \u00a0 Kingston-upon-Thames, Surrey KT1 2EE, UK","institution_ids":["https://openalex.org/I205051169"]},{"raw_affiliation_string":"Faculty of Computing, Information Systems & Mathematics, Kingston University, Kingston upon Thames, Surrey KT1 2EE, UK#TAB#","institution_ids":["https://openalex.org/I205051169"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5005552930"],"corresponding_institution_ids":["https://openalex.org/I205051169"],"apc_list":{"value":3989,"currency":"USD","value_usd":3989},"apc_paid":{"value":3989,"currency":"USD","value_usd":3989},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.1700481,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"22","issue":"10","first_page":"1183","last_page":"1189"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.3100000023841858,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.3100000023841858,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.2087000012397766,"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"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.07249999791383743,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/template","display_name":"Template","score":0.7389510273933411},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.5578848123550415},{"id":"https://openalex.org/keywords/protein-engineering","display_name":"Protein engineering","score":0.5190754532814026},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4708307087421417},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.45038676261901855},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.4049881398677826},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.34956851601600647},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.33301225304603577},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2369866967201233},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.21456941962242126},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.14311757683753967}],"concepts":[{"id":"https://openalex.org/C82714645","wikidata":"https://www.wikidata.org/wiki/Q438331","display_name":"Template","level":2,"score":0.7389510273933411},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.5578848123550415},{"id":"https://openalex.org/C147816474","wikidata":"https://www.wikidata.org/wiki/Q169525","display_name":"Protein engineering","level":3,"score":0.5190754532814026},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4708307087421417},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.45038676261901855},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4049881398677826},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.34956851601600647},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33301225304603577},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2369866967201233},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.21456941962242126},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.14311757683753967},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":6,"locations":[{"id":"doi:10.1093/bioinformatics/btl040","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btl040","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/22/10/1183/48838121/bioinformatics_22_10_1183.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:16473871","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16473871","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":"Bioinformatics (Oxford, England)","raw_type":"Journal Article"},{"id":"pmh:oai:eprints.kingston.ac.uk:7094","is_oa":false,"landing_page_url":"https://eprints.kingston.ac.uk/id/eprint/7094/1/Nebel-J-C-7094.pdf","pdf_url":"https://eprints.kingston.ac.uk/id/eprint/7094/1/Nebel-J-C-7094.pdf","source":{"id":"https://openalex.org/S4306400991","display_name":"Research Repository (Kingston University London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801636071","host_organization_name":"Kingston Hospital NHS Trust","host_organization_lineage":["https://openalex.org/I2801636071"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.97.4609","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.97.4609","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://bioinformatics.oxfordjournals.org/cgi/reprint/btl040v1.pdf","raw_type":"text"},{"id":"pmh:oai:eprints.kingston.ac.uk:8014","is_oa":false,"landing_page_url":"http://eprints.kingston.ac.uk/id/eprint/8014/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400991","display_name":"Research Repository (Kingston University London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801636071","host_organization_name":"Kingston Hospital NHS Trust","host_organization_lineage":["https://openalex.org/I2801636071"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Conference or Workshop Item"},{"id":"mag:2152586656","is_oa":false,"landing_page_url":"http://dblp.uni-trier.de/db/conf/gcb/gcb2005.html#Nebel05","pdf_url":null,"source":{"id":"https://openalex.org/S4306418482","display_name":"German Conference on Bioinformatics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":"German Conference on Bioinformatics","raw_type":null}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btl040","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btl040","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/22/10/1183/48838121/bioinformatics_22_10_1183.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320311734","display_name":"Kingston University","ror":"https://ror.org/05bbqza97"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2152586656.pdf","grobid_xml":"https://content.openalex.org/works/W2152586656.grobid-xml"},"referenced_works_count":34,"referenced_works":["https://openalex.org/W102346209","https://openalex.org/W193124220","https://openalex.org/W1498652161","https://openalex.org/W1517566065","https://openalex.org/W1964640688","https://openalex.org/W1964858917","https://openalex.org/W1965910641","https://openalex.org/W1993267444","https://openalex.org/W2004136346","https://openalex.org/W2015292449","https://openalex.org/W2020038526","https://openalex.org/W2020940951","https://openalex.org/W2027830460","https://openalex.org/W2030860488","https://openalex.org/W2039484557","https://openalex.org/W2075413389","https://openalex.org/W2076728116","https://openalex.org/W2077529366","https://openalex.org/W2078866107","https://openalex.org/W2096943217","https://openalex.org/W2105902442","https://openalex.org/W2106022094","https://openalex.org/W2106882534","https://openalex.org/W2108067237","https://openalex.org/W2108302275","https://openalex.org/W2130280638","https://openalex.org/W2130479394","https://openalex.org/W2130525806","https://openalex.org/W2139227319","https://openalex.org/W2143173841","https://openalex.org/W2146940292","https://openalex.org/W2151192631","https://openalex.org/W2152326664","https://openalex.org/W2153561236"],"related_works":["https://openalex.org/W2068137735","https://openalex.org/W2331081566","https://openalex.org/W1553840935","https://openalex.org/W1994921798","https://openalex.org/W2115366286","https://openalex.org/W1976789543","https://openalex.org/W3158876629","https://openalex.org/W1965486204","https://openalex.org/W2026665658","https://openalex.org/W2136525667","https://openalex.org/W174097428","https://openalex.org/W2079631759","https://openalex.org/W2014972767","https://openalex.org/W2018459521","https://openalex.org/W118467984","https://openalex.org/W2126755078","https://openalex.org/W2109508628","https://openalex.org/W2043699100","https://openalex.org/W2100066111","https://openalex.org/W2128649384"],"abstract_inverted_index":{"MOTIVATION:":[0],"With":[1],"the":[2,8,16,51,93,114,146,150,189,202,210,228,232,237,248,265],"increasing":[3],"availability":[4],"of":[5,10,19,89,116,149,160,165,191,205,213,231,250,269],"protein":[6,21,33,36,90,127,193],"structures,":[7],"generation":[9,115],"biologically":[11,101,223],"meaningful":[12],"3D":[13,37,60,95,117,140,147,192,197,211,244,276],"patterns":[14,45,61,76,96,118,230],"from":[15,77,119,143],"simultaneous":[17],"alignment":[18],"several":[20],"structures":[22,38],"is":[23,215,222,285],"an":[24,163],"exciting":[25],"prospect:":[26],"active":[27,91,203],"sites":[28],"could":[29,39,186,254],"be":[30,40,48,100,255],"better":[31],"understood,":[32],"functions":[34],"and":[35,53,64,178,236,264,267],"predicted":[41,157],"more":[42],"accurately.":[43],"Although":[44],"can":[46],"already":[47],"generated":[49,94,142,200,275],"at":[50,287],"fold":[52],"topological":[54],"levels,":[55],"no":[56],"system":[57,185],"produces":[58],"high-resolution":[59],"including":[62],"atom":[63],"cavity":[65,179],"positions.":[66,180],"To":[67],"address":[68],"this":[69,105],"challenge,":[70],"our":[71,134,184,225],"research":[72],"focuses":[73],"on":[74],"generating":[75],"proteins":[78,120,130,151],"with":[79,121,145,261,273],"rigid":[80,122],"prosthetic":[81,123],"groups.":[82,124],"Since":[83],"these":[84,279],"groups":[85],"are":[86,97],"key":[87],"elements":[88],"sites,":[92],"expected":[98],"to":[99,188,240],"meaningful.":[102],"RESULTS:":[103],"In":[104],"paper,":[106],"we":[107],"present":[108],"a":[109,196,251,258,270],"new":[110],"approach":[111],"which":[112,214,253],"allows":[113],"Using":[125],"237":[126],"chains":[128],"representing":[129],"containing":[131],"porphyrin":[132],"rings,":[133],"method":[135,226],"was":[136,199],"validated":[137],"by":[138],"comparing":[139],"templates":[141],"homologues":[144],"structure":[148,212],"they":[152],"model.":[153],"Atom":[154],"positions":[155],"were":[156,173],"reliably:":[158],"93%":[159],"them":[161],"had":[162],"accuracy":[164],"1.00":[166],"A":[167],"or":[168],"less.":[169],"Moreover,":[170],"similar":[171],"results":[172],"obtained":[174],"regarding":[175],"chemical":[176],"group":[177],"Results":[181],"also":[182,246],"suggested":[183,247],"contribute":[187],"validation":[190],"models.":[194],"Finally,":[195],"template":[198,245],"for":[201],"site":[204],"human":[206],"cytochrome":[207,233],"P450":[208,234],"CYP17,":[209],"unknown.":[216],"Its":[217],"analysis":[218],"showed":[219],"that":[220],"it":[221],"meaningful:":[224],"detected":[227],"main":[229],"superfamily":[235],"motifs":[238],"linked":[239],"catalytic":[241],"reactions.":[242],"The":[243],"position":[249],"residue,":[252],"involved":[256],"in":[257],"hydrogen":[259],"bond":[260],"CYP17":[262],"substrates":[263],"shape":[266],"location":[268],"cavity.":[271],"Comparisons":[272],"independently":[274],"models":[277],"comforted":[278],"hypotheses.":[280],"AVAILABILITY:":[281],"Alignment":[282],"software":[283],"(Nestor3D)":[284],"available":[286],"http://www.kingston.ac.uk/~ku33185/Nestor3D.html":[288]},"counts_by_year":[],"updated_date":"2026-08-27T14:10:00.468798","created_date":"2025-10-10T00:00:00"}