{"id":"https://openalex.org/W2069098917","doi":"https://doi.org/10.1021/acs.jcim.5b00043","title":"Test and Evaluation of <i>ff99IDPs</i> Force Field for Intrinsically Disordered Proteins","display_name":"Test and Evaluation of <i>ff99IDPs</i> Force Field for Intrinsically Disordered Proteins","publication_year":2015,"publication_date":"2015-04-28","ids":{"openalex":"https://openalex.org/W2069098917","doi":"https://doi.org/10.1021/acs.jcim.5b00043","mag":"2069098917","pmid":"https://pubmed.ncbi.nlm.nih.gov/25919886"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00043","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00043","pdf_url":null,"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":null,"license_id":null,"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":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5490450","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5068798135","display_name":"Wei Ye","orcid":"https://orcid.org/0000-0001-6268-2703"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Wei Ye","raw_affiliation_strings":["State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China"],"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004630271","display_name":"Dingjue Ji","orcid":"https://orcid.org/0000-0001-6288-8891"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Dingjue Ji","raw_affiliation_strings":["State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China"],"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100391662","display_name":"Wei Wang","orcid":"https://orcid.org/0000-0001-5441-0302"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Wang","raw_affiliation_strings":["State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China"],"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032088629","display_name":"Ray Luo","orcid":"https://orcid.org/0000-0002-6346-8271"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ray Luo","raw_affiliation_strings":["Department\rof Molecular Biology and Biochemistry, Department of Chemical Engineering\rand Materials Science, and Department of Biomedical Engineering, University of California, Irvine, California 92697-3900, United States"],"affiliations":[{"raw_affiliation_string":"Department\rof Molecular Biology and Biochemistry, Department of Chemical Engineering\rand Materials Science, and Department of Biomedical Engineering, University of California, Irvine, California 92697-3900, United States","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100456783","display_name":"Haifeng Chen","orcid":"https://orcid.org/0000-0002-7496-4182"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]},{"id":"https://openalex.org/I4210162648","display_name":"Shanghai Center For Bioinformation Technology","ror":"https://ror.org/04nyf1f54","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210162648"]},{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["CN","KR"],"is_corresponding":false,"raw_author_name":"Hai-Feng Chen","raw_affiliation_strings":["Shanghai Center for Bioinformation Technology, 1278 Keyuan Road, Shanghai 200235, China","State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China","State#R#Key Laboratory of Microbial Metabolism, Department of Bioinformatics#R#and Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China"],"affiliations":[{"raw_affiliation_string":"Shanghai Center for Bioinformation Technology, 1278 Keyuan Road, Shanghai 200235, China","institution_ids":["https://openalex.org/I4210162648"]},{"raw_affiliation_string":"State\rKey Laboratory of Microbial Metabolism, Department of Bioinformatics\rand Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China","institution_ids":["https://openalex.org/I183067930"]},{"raw_affiliation_string":"State#R#Key Laboratory of Microbial Metabolism, Department of Bioinformatics#R#and Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240, China","institution_ids":["https://openalex.org/I197347611"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5068798135"],"corresponding_institution_ids":["https://openalex.org/I183067930"],"apc_list":null,"apc_paid":null,"fwci":3.615,"has_fulltext":false,"cited_by_count":79,"citation_normalized_percentile":{"value":0.93526006,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"55","issue":"5","first_page":"1021","last_page":"1029"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998000264167786,"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":0.9998000264167786,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9976999759674072,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9962999820709229,"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/intrinsically-disordered-proteins","display_name":"Intrinsically disordered proteins","score":0.9810039401054382},{"id":"https://openalex.org/keywords/conformational-isomerism","display_name":"Conformational isomerism","score":0.6773333549499512},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.6376127004623413},{"id":"https://openalex.org/keywords/conformational-ensembles","display_name":"Conformational ensembles","score":0.4500185251235962},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.41926848888397217},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.38057413697242737},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.37446606159210205},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3421708941459656},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.31531086564064026},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.253390908241272},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.2120739221572876},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.13077017664909363}],"concepts":[{"id":"https://openalex.org/C2778815515","wikidata":"https://www.wikidata.org/wiki/Q3408242","display_name":"Intrinsically disordered proteins","level":2,"score":0.9810039401054382},{"id":"https://openalex.org/C18705241","wikidata":"https://www.wikidata.org/wiki/Q1128023","display_name":"Conformational isomerism","level":3,"score":0.6773333549499512},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.6376127004623413},{"id":"https://openalex.org/C2777936996","wikidata":"https://www.wikidata.org/wiki/Q17148461","display_name":"Conformational ensembles","level":3,"score":0.4500185251235962},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.41926848888397217},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.38057413697242737},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.37446606159210205},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3421708941459656},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.31531086564064026},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.253390908241272},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.2120739221572876},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.13077017664909363},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016282","descriptor_name":"Aspartic Acid Endopeptidases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D016282","descriptor_name":"Aspartic Acid Endopeptidases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D016282","descriptor_name":"Aspartic Acid Endopeptidases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D020816","descriptor_name":"Amino Acid Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020816","descriptor_name":"Amino Acid Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020816","descriptor_name":"Amino Acid Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D025801","descriptor_name":"Ubiquitin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D025801","descriptor_name":"Ubiquitin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D025801","descriptor_name":"Ubiquitin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D025801","descriptor_name":"Ubiquitin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D025801","descriptor_name":"Ubiquitin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D025801","descriptor_name":"Ubiquitin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051844","descriptor_name":"alpha-Synuclein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051844","descriptor_name":"alpha-Synuclein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051844","descriptor_name":"alpha-Synuclein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051844","descriptor_name":"alpha-Synuclein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051844","descriptor_name":"alpha-Synuclein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051844","descriptor_name":"alpha-Synuclein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054321","descriptor_name":"rev Gene Products, Human Immunodeficiency Virus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054321","descriptor_name":"rev Gene Products, Human Immunodeficiency Virus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054321","descriptor_name":"rev Gene Products, Human Immunodeficiency Virus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054321","descriptor_name":"rev Gene Products, Human Immunodeficiency Virus","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054321","descriptor_name":"rev Gene Products, Human Immunodeficiency Virus","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054321","descriptor_name":"rev Gene Products, Human Immunodeficiency Virus","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.5b00043","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00043","pdf_url":null,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:25919886","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25919886","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:escholarship.org:ark:/13030/qt78m9v9h4","is_oa":false,"landing_page_url":"https://escholarship.org/uc/item/78m9v9h4","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, vol 55, iss 5","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:5490450","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5490450","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:5490450","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5490450","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[{"score":0.5299999713897705,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1962392006","display_name":null,"funder_award_id":"2012CB721003","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G227035267","display_name":null,"funder_award_id":"2014AA021502","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G3243288681","display_name":null,"funder_award_id":"31271403","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6757449341","display_name":null,"funder_award_id":"J1210047","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W1763894483","https://openalex.org/W1796079077","https://openalex.org/W1834070694","https://openalex.org/W1967546282","https://openalex.org/W1969231606","https://openalex.org/W1974030600","https://openalex.org/W1974322112","https://openalex.org/W1979079649","https://openalex.org/W1980336356","https://openalex.org/W1981021420","https://openalex.org/W1984716929","https://openalex.org/W1986396635","https://openalex.org/W1987683883","https://openalex.org/W1998203484","https://openalex.org/W2004822259","https://openalex.org/W2008708467","https://openalex.org/W2020496643","https://openalex.org/W2027589805","https://openalex.org/W2041189078","https://openalex.org/W2049476357","https://openalex.org/W2049572613","https://openalex.org/W2050333027","https://openalex.org/W2053847776","https://openalex.org/W2058890513","https://openalex.org/W2063481538","https://openalex.org/W2067174909","https://openalex.org/W2073745520","https://openalex.org/W2076738378","https://openalex.org/W2077480295","https://openalex.org/W2082313873","https://openalex.org/W2093381148","https://openalex.org/W2099407940","https://openalex.org/W2105573149","https://openalex.org/W2118608964","https://openalex.org/W2119957548","https://openalex.org/W2120881407","https://openalex.org/W2125022522","https://openalex.org/W2126103104","https://openalex.org/W2129774517","https://openalex.org/W2130345367","https://openalex.org/W2131522485","https://openalex.org/W2133179696","https://openalex.org/W2138480068","https://openalex.org/W2140389961","https://openalex.org/W2141920771","https://openalex.org/W2144288821","https://openalex.org/W2145737940","https://openalex.org/W2147576743","https://openalex.org/W2153970368","https://openalex.org/W2155809660","https://openalex.org/W2156012420","https://openalex.org/W2159377066","https://openalex.org/W2161163255","https://openalex.org/W2161605421","https://openalex.org/W2162166182","https://openalex.org/W2165581033","https://openalex.org/W2313116527","https://openalex.org/W2768578200","https://openalex.org/W4210968583","https://openalex.org/W4229743141"],"related_works":["https://openalex.org/W3127534742","https://openalex.org/W2981013945","https://openalex.org/W2022269912","https://openalex.org/W2811043963","https://openalex.org/W2161972019","https://openalex.org/W4366465732","https://openalex.org/W4321013117","https://openalex.org/W2312858532","https://openalex.org/W2914439699","https://openalex.org/W2609476392"],"abstract_inverted_index":{"Over":[0],"40%":[1],"of":[2,38,66,127,155,175,190],"eukaryotic":[3],"proteomic":[4],"sequences":[5],"have":[6],"been":[7],"predicted":[8],"to":[9,22,47,61,83,151,194],"be":[10,23,149,170,188],"intrinsically":[11,16],"disordered":[12,17,96,128],"proteins":[13],"(IDPs)":[14],"or":[15],"regions":[18],"(IDRs)":[19],"and":[20,79,85,115,137,157,162],"confirmed":[21],"associated":[24],"with":[25,50,109],"many":[26],"diseases.":[27],"However,":[28,165],"widely":[29],"used":[30,82,150],"force":[31,43,185],"fields":[32,186],"cannot":[33],"well":[34,140],"reproduce":[35,141],"the":[36,41,55,64,87,98,102,142,153,173,191,197],"conformers":[37,129],"IDPs.":[39,200],"Previously":[40],"ff99IDPs":[42,103,122,136,146],"field":[44],"was":[45],"released":[46],"simulate":[48,152],"IDPs":[49,156],"CMAP":[51],"energy":[52],"corrections":[53],"for":[54,94],"eight":[56],"disorder-promoting":[57,181],"residues.":[58],"In":[59,144],"order":[60],"further":[62,195],"confirm":[63],"performance":[65,198],"ff99IDPs,":[67],"three":[68],"representative":[69],"IDP":[70],"systems":[71],"(arginine-rich":[72],"HIV-1":[73],"Rev,":[74],"aspartic":[75],"proteinase":[76],"inhibitor":[77],"IA3,":[78],"\u03b1-synuclein)":[80],"were":[81],"test":[84],"evaluate":[86],"simulation":[88],"results.":[89],"The":[90],"results":[91],"show":[92],"that":[93],"free":[95,163],"proteins,":[97,134],"chemical":[99],"shifts":[100],"from":[101,111,119],"simulations":[104],"are":[105],"in":[106,159,179],"quantitative":[107],"agreement":[108],"those":[110,118],"reported":[112],"NMR":[113],"measurements":[114],"better":[116],"than":[117,130],"ff99SBildn.":[120,131],"Thus,":[121],"can":[123,139,147],"sample":[124],"more":[125],"clusters":[126],"For":[132],"structural":[133],"both":[135,160],"ff99SBildn":[138],"conformations.":[143],"general,":[145],"successfully":[148],"conformations":[154],"IDRs":[158],"bound":[161],"states.":[164],"relative":[166],"errors":[167],"could":[168],"still":[169],"found":[171],"at":[172],"boundaries":[174],"ordered":[176],"residues":[177],"scattered":[178],"long":[180],"sequences.":[182],"Therefore,":[183],"polarizable":[184],"might":[187],"one":[189],"possible":[192],"ways":[193],"improve":[196],"on":[199]},"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":9},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":10},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":2}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2016-06-24T00:00:00"}
