{"id":"https://openalex.org/W2343142013","doi":"https://doi.org/10.1093/nar/gkw314","title":"MANORAA (Mapping Analogous Nuclei Onto Residue And Affinity) for identifying protein\u2013ligand fragment interaction, pathways and SNPs","display_name":"MANORAA (Mapping Analogous Nuclei Onto Residue And Affinity) for identifying protein\u2013ligand fragment interaction, pathways and SNPs","publication_year":2016,"publication_date":"2016-04-29","ids":{"openalex":"https://openalex.org/W2343142013","doi":"https://doi.org/10.1093/nar/gkw314","mag":"2343142013","pmid":"https://pubmed.ncbi.nlm.nih.gov/27131358"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkw314","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkw314","pdf_url":"https://academic.oup.com/nar/article-pdf/44/W1/W514/18787553/gkw314.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","datacite","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/44/W1/W514/18787553/gkw314.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036200302","display_name":"Duangrudee Tanramluk","orcid":"https://orcid.org/0000-0002-9080-3303"},"institutions":[{"id":"https://openalex.org/I25399158","display_name":"Mahidol University","ror":"https://ror.org/01znkr924","country_code":"TH","type":"education","lineage":["https://openalex.org/I25399158"]}],"countries":["TH"],"is_corresponding":true,"raw_author_name":"Duangrudee Tanramluk","raw_affiliation_strings":["Institute of Molecular Biosciences, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand duangrudee.tan@mahidol.ac.th","Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","Institute of Molecular Biosciences, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,"],"affiliations":[{"raw_affiliation_string":"Institute of Molecular Biosciences, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand duangrudee.tan@mahidol.ac.th","institution_ids":[]},{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","institution_ids":["https://openalex.org/I25399158"]},{"raw_affiliation_string":"Institute of Molecular Biosciences, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","institution_ids":["https://openalex.org/I25399158"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005238678","display_name":"Lalita Narupiyakul","orcid":"https://orcid.org/0000-0001-5789-5966"},"institutions":[{"id":"https://openalex.org/I25399158","display_name":"Mahidol University","ror":"https://ror.org/01znkr924","country_code":"TH","type":"education","lineage":["https://openalex.org/I25399158"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Lalita Narupiyakul","raw_affiliation_strings":["Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Department of Computer Engineering, Faculty of Engineering, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand","Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","Department of Computer Engineering, Faculty of Engineering, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,"],"affiliations":[{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Department of Computer Engineering, Faculty of Engineering, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand","institution_ids":[]},{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","institution_ids":["https://openalex.org/I25399158"]},{"raw_affiliation_string":"Department of Computer Engineering, Faculty of Engineering, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","institution_ids":["https://openalex.org/I25399158"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067057254","display_name":"Ruj Akavipat","orcid":"https://orcid.org/0000-0003-2657-3387"},"institutions":[{"id":"https://openalex.org/I198105771","display_name":"Kasetsart University","ror":"https://ror.org/05gzceg21","country_code":"TH","type":"education","lineage":["https://openalex.org/I198105771"]},{"id":"https://openalex.org/I25399158","display_name":"Mahidol University","ror":"https://ror.org/01znkr924","country_code":"TH","type":"education","lineage":["https://openalex.org/I25399158"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Ruj Akavipat","raw_affiliation_strings":["Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Department of Computer Science, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900, Thailand","Department of Computer Science, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900, Thailand,","Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,"],"affiliations":[{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Department of Computer Science, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900, Thailand","institution_ids":[]},{"raw_affiliation_string":"Department of Computer Science, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900, Thailand,","institution_ids":["https://openalex.org/I198105771"]},{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","institution_ids":["https://openalex.org/I25399158"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057332623","display_name":"Sungsam Gong","orcid":"https://orcid.org/0000-0001-5796-4423"},"institutions":[{"id":"https://openalex.org/I2801065305","display_name":"Rosie Hospital","ror":"https://ror.org/01ncx3917","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801065305","https://openalex.org/I2802466933"]},{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Sungsam Gong","raw_affiliation_strings":["Department of Obstetrics and Gynaecology, University of Cambridge, The Rosie Hospital, Cambridge CB2 0SW, UK","Department of Obstetrics and Gynaecology, University of Cambridge, The Rosie Hospital, Cambridge CB2 0SW, UK and"],"affiliations":[{"raw_affiliation_string":"Department of Obstetrics and Gynaecology, University of Cambridge, The Rosie Hospital, Cambridge CB2 0SW, UK","institution_ids":[]},{"raw_affiliation_string":"Department of Obstetrics and Gynaecology, University of Cambridge, The Rosie Hospital, Cambridge CB2 0SW, UK and","institution_ids":["https://openalex.org/I2801065305","https://openalex.org/I241749"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5068229903","display_name":"Varodom Charoensawan","orcid":"https://orcid.org/0000-0002-2199-4126"},"institutions":[{"id":"https://openalex.org/I25399158","display_name":"Mahidol University","ror":"https://ror.org/01znkr924","country_code":"TH","type":"education","lineage":["https://openalex.org/I25399158"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Varodom Charoensawan","raw_affiliation_strings":["Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Department of Biochemistry, Faculty of Science, Mahidol University, Ratchathewi, Bangkok 10400, Thailand","Department of Biochemistry, Faculty of Science, Mahidol University, Ratchathewi, Bangkok 10400, Thailand","Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,"],"affiliations":[{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand Department of Biochemistry, Faculty of Science, Mahidol University, Ratchathewi, Bangkok 10400, Thailand","institution_ids":[]},{"raw_affiliation_string":"Department of Biochemistry, Faculty of Science, Mahidol University, Ratchathewi, Bangkok 10400, Thailand","institution_ids":["https://openalex.org/I25399158"]},{"raw_affiliation_string":"Integrative Computational BioScience (ICBS) Center, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand,","institution_ids":["https://openalex.org/I25399158"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5036200302"],"corresponding_institution_ids":["https://openalex.org/I25399158"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.02009739,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":93},"biblio":{"volume":"44","issue":"W1","first_page":"W514","last_page":"W521"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9972000122070312,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9972000122070312,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9966999888420105,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9947999715805054,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank (RCSB PDB)","score":0.7281172275543213},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.6893205642700195},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6166259050369263},{"id":"https://openalex.org/keywords/protein-ligand","display_name":"Protein ligand","score":0.608616292476654},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.5708351135253906},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5666338205337524},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.5621802806854248},{"id":"https://openalex.org/keywords/protein-engineering","display_name":"Protein engineering","score":0.47052204608917236},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.4662080705165863},{"id":"https://openalex.org/keywords/fragment","display_name":"Fragment (logic)","score":0.4525439739227295},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4402807652950287},{"id":"https://openalex.org/keywords/target-protein","display_name":"Target protein","score":0.43553128838539124},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.43225225806236267},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.35345959663391113},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.32262560725212097},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.168081134557724},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.16593533754348755},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.13541260361671448},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.0906592607498169},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.0878402590751648},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.08299514651298523},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.07590457797050476}],"concepts":[{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.7281172275543213},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.6893205642700195},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6166259050369263},{"id":"https://openalex.org/C109095088","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Protein ligand","level":2,"score":0.608616292476654},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.5708351135253906},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5666338205337524},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.5621802806854248},{"id":"https://openalex.org/C147816474","wikidata":"https://www.wikidata.org/wiki/Q169525","display_name":"Protein engineering","level":3,"score":0.47052204608917236},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.4662080705165863},{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.4525439739227295},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4402807652950287},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.43553128838539124},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.43225225806236267},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.35345959663391113},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.32262560725212097},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.168081134557724},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.16593533754348755},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.13541260361671448},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0906592607498169},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.0878402590751648},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.08299514651298523},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.07590457797050476}],"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":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020641","descriptor_name":"Polymorphism, Single Nucleotide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020641","descriptor_name":"Polymorphism, Single Nucleotide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020641","descriptor_name":"Polymorphism, Single Nucleotide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":6,"locations":[{"id":"doi:10.1093/nar/gkw314","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkw314","pdf_url":"https://academic.oup.com/nar/article-pdf/44/W1/W514/18787553/gkw314.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:27131358","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27131358","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":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:www.repository.cam.ac.uk:1810/291780","is_oa":true,"landing_page_url":"https://www.repository.cam.ac.uk/handle/1810/291780","pdf_url":"https://www.repository.cam.ac.uk/handle/1810/291780","source":{"id":"https://openalex.org/S4306401777","display_name":"Apollo (University of Cambridge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I241749","host_organization_name":"University of Cambridge","host_organization_lineage":["https://openalex.org/I241749"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"},{"id":"pmh:oai:europepmc.org:3952874","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4987895","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"},{"id":"pmh:oai:open-archive.highwire.org:nar:44/W1/W514","is_oa":false,"landing_page_url":"http://nar.oxfordjournals.org/cgi/content/short/44/W1/W514","pdf_url":null,"source":{"id":"https://openalex.org/S4406923041","display_name":"HighWire Press Open Archive","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":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"TEXT"},{"id":"doi:10.17863/cam.38940","is_oa":true,"landing_page_url":"https://doi.org/10.17863/cam.38940","pdf_url":null,"source":{"id":"https://openalex.org/S7407050737","display_name":"Apollo","issn_l":null,"issn":[],"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":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.1093/nar/gkw314","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkw314","pdf_url":"https://academic.oup.com/nar/article-pdf/44/W1/W514/18787553/gkw314.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322401","display_name":"Mahidol University","ror":"https://ror.org/01znkr924"},{"id":"https://openalex.org/F4320322614","display_name":"Thailand Research Fund","ror":"https://ror.org/03gd1bh37"},{"id":"https://openalex.org/F4320325121","display_name":"Crown Property Bureau","ror":"https://ror.org/01wew9097"},{"id":"https://openalex.org/F4320335210","display_name":"Faculty of Science, Mahidol University","ror":"https://ror.org/01znkr924"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2343142013.pdf"},"referenced_works_count":29,"referenced_works":["https://openalex.org/W590740985","https://openalex.org/W1518170439","https://openalex.org/W1693130141","https://openalex.org/W1966326114","https://openalex.org/W1975875968","https://openalex.org/W1993496775","https://openalex.org/W2003261048","https://openalex.org/W2018624498","https://openalex.org/W2025816743","https://openalex.org/W2045873232","https://openalex.org/W2050083547","https://openalex.org/W2054668663","https://openalex.org/W2066666235","https://openalex.org/W2096864392","https://openalex.org/W2096980612","https://openalex.org/W2111762125","https://openalex.org/W2120138074","https://openalex.org/W2137841449","https://openalex.org/W2138050607","https://openalex.org/W2139779008","https://openalex.org/W2147085530","https://openalex.org/W2153980786","https://openalex.org/W2157122545","https://openalex.org/W2159482845","https://openalex.org/W2168708922","https://openalex.org/W2171681733","https://openalex.org/W2739999456","https://openalex.org/W4232154957","https://openalex.org/W4294216483"],"related_works":["https://openalex.org/W2088162897","https://openalex.org/W4387033830","https://openalex.org/W3013529667","https://openalex.org/W1559108998","https://openalex.org/W2139779008","https://openalex.org/W1993046136","https://openalex.org/W2006718226","https://openalex.org/W2168565692","https://openalex.org/W2019285562","https://openalex.org/W2053132779"],"abstract_inverted_index":{"Protein-ligand":[0],"interaction":[1],"analysis":[2],"is":[3],"an":[4],"important":[5],"step":[6],"of":[7,44,72,84,124,154,162],"drug":[8],"design":[9,83],"and":[10,20,82,99,133,150,160],"protein":[11],"engineering":[12],"in":[13,38,114],"order":[14],"to":[15,24,78,94,106,126],"predict":[16],"the":[17,25,39,57,70,89,92,96,102,107,115,122,146,152,169],"binding":[18],"affinity":[19],"selectivity":[21],"between":[22],"ligands":[23,123],"target":[26,108],"proteins.":[27],"To":[28],"date,":[29],"there":[30],"are":[31,47],"more":[32],"than":[33],"100":[34],"000":[35],"structures":[36,113],"available":[37,111],"Protein":[40],"Data":[41],"Bank":[42],"(PDB),":[43],"which":[45],"\u223c30%":[46],"protein-ligand":[48,85,155],"(MW":[49],"below":[50],"1000":[51],"Da)":[52],"complexes.":[53],"We":[54],"have":[55],"developed":[56],"integrative":[58],"web":[59,76],"server":[60,90,147],"MANORAA":[61],"(Mapping":[62],"Analogous":[63],"Nuclei":[64],"Onto":[65],"Residue":[66],"And":[67],"Affinity)":[68],"with":[69,110,165],"aim":[71],"providing":[73],"a":[74],"user-friendly":[75],"interface":[77],"assist":[79],"structural":[80],"study":[81,153],"interactions.":[86],"In":[87],"brief,":[88],"allows":[91],"users":[93,118],"input":[95],"chemical":[97],"fragments":[98],"present":[100],"all":[101],"unique":[103],"molecular":[104],"interactions":[105,156,164],"proteins":[109,167],"three-dimensional":[112],"PDB.":[116],"The":[117],"can":[119],"also":[120],"link":[121],"interest":[125],"assess":[127],"possible":[128],"off-target":[129],"proteins,":[130],"human":[131],"variants":[132],"pathway":[134],"information":[135],"using":[136],"our":[137],"all-in-one":[138],"integrated":[139],"tools.":[140],"Taken":[141],"together,":[142],"we":[143],"envisage":[144],"that":[145],"will":[148],"facilitate":[149],"improve":[151],"by":[157],"allowing":[158],"observation":[159],"comparison":[161],"ligand":[163],"multiple":[166],"at":[168],"same":[170],"time.":[171],"(http://manoraa.org).":[172]},"counts_by_year":[{"year":2021,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}