乐胖代购免代理版

{"id":"https://openalex.org/W3192207631","doi":"https://doi.org/10.1145/3459930.3469510","title":"Modeling protein structures from predicted contacts with modern molecular dynamics potentials","display_name":"Modeling protein structures from predicted contacts with modern molecular dynamics potentials","publication_year":2021,"publication_date":"2021-07-30","ids":{"openalex":"https://openalex.org/W3192207631","doi":"https://doi.org/10.1145/3459930.3469510","mag":"3192207631"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1145/3459930.3469510","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},"type":"article","type_crossref":"proceedings-article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/biblio/1814272","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5046664249","display_name":"Russell B. Davidson","orcid":"https://orcid.org/0000-0003-2364-4039"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Russell B. Davidson","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037906784","display_name":"Mathialakan Thavappiragasam","orcid":"https://orcid.org/0000-0003-1240-3475"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mathialakan Thavappiragasam","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000434623","display_name":"T. Chad Effler","orcid":"https://orcid.org/0009-0005-7626-5683"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"T. Chad Effler","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111565203","display_name":"Jess Woods","orcid":null},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jess Woods","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073148807","display_name":"Dwayne A. Elias","orcid":"https://orcid.org/0000-0002-4469-6391"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dwayne A. Elias","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037417242","display_name":"Jerry M. Parks","orcid":"https://orcid.org/0000-0002-3103-9333"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jerry M. Parks","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060608335","display_name":"Ada Sedova","orcid":"https://orcid.org/0000-0002-8233-3057"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ada Sedova","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":0,"max":57},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"10"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":1.0,"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":1.0,"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":0.9984,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.998,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/force-field","display_name":"Force Field","score":0.53600293}],"concepts":[{"id":"https://openalex.org/C184898388","wikidata":"https://www.wikidata.org/wiki/Q1435712","display_name":"Pairwise comparison","level":2,"score":0.826235},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.67358935},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.60520744},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5747901},{"id":"https://openalex.org/C18051474","wikidata":"https://www.wikidata.org/wiki/Q899656","display_name":"Protein structure prediction","level":3,"score":0.56866634},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.53600293},{"id":"https://openalex.org/C88548561","wikidata":"https://www.wikidata.org/wiki/Q347599","display_name":"sort","level":2,"score":0.512704},{"id":"https://openalex.org/C99498987","wikidata":"https://www.wikidata.org/wiki/Q2210247","display_name":"Noise (video)","level":3,"score":0.49277714},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.48279774},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.47029826},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.39564055},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.3367024},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.19017047},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.17695299},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.17096493},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11429405},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1145/3459930.3469510","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},{"is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1814272","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":["Office of Scientific and Technical Information"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1814272","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":["Office of Scientific and Technical Information"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false},"sustainable_development_goals":[],"grants":[{"funder":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy","award_id":"Contract No. DE-AC05-00OR22725"}],"datasets":[],"versions":[],"referenced_works_count":25,"referenced_works":["https://openalex.org/W2017421343","https://openalex.org/W2029667189","https://openalex.org/W2038743874","https://openalex.org/W2061379882","https://openalex.org/W2065921821","https://openalex.org/W2074986801","https://openalex.org/W2132262459","https://openalex.org/W2141920771","https://openalex.org/W2145991251","https://openalex.org/W2156012420","https://openalex.org/W2161151688","https://openalex.org/W2277366394","https://openalex.org/W2404280981","https://openalex.org/W2420659973","https://openalex.org/W2765322245","https://openalex.org/W2904110477","https://openalex.org/W2944535254","https://openalex.org/W2949975032","https://openalex.org/W2960589734","https://openalex.org/W2967606876","https://openalex.org/W2987451562","https://openalex.org/W2997234557","https://openalex.org/W3005725996","https://openalex.org/W3035807632","https://openalex.org/W4211232835"],"related_works":["https://openalex.org/W3215498386","https://openalex.org/W3171039768","https://openalex.org/W2946599741","https://openalex.org/W2593264178","https://openalex.org/W2368468053","https://openalex.org/W2294851134","https://openalex.org/W2136856901","https://openalex.org/W2058542300","https://openalex.org/W2043066834","https://openalex.org/W1564749278"],"abstract_inverted_index":{"Protein":[0],"structure":[1,73],"prediction":[2],"has":[3],"become":[4],"increasingly":[5],"popular":[6],"and":[7,74,131,156,167],"successful":[8],"in":[9,100,123,179],"recent":[10],"years.":[11],"An":[12],"essential":[13],"step":[14],"for":[15],"fragment-free,":[16],"template-free":[17],"methods":[18],"is":[19,104],"the":[20,48,63,90,101,109,116,124,128,133,140,160,169,183],"generation":[21],"of":[22,31,50,85,92,111,118,121,135,144,147,185],"a":[23,29,83,145],"final":[24,129],"three-dimensional":[25],"protein":[26,79],"model":[27,71],"from":[28,82],"set":[30,84,146],"predicted":[32,102,125],"amino":[33],"acid":[34],"contacts":[35],"that":[36,152,168],"are":[37],"often":[38],"described":[39],"by":[40],"interresidue":[41],"pairwise":[42,87],"atomic":[43],"distances.":[44,88],"Here":[45],"we":[46],"explore":[47],"use":[49],"modern,":[51],"open-source":[52],"molecular":[53,170],"dynamics":[54,171],"(MD)":[55],"engines,":[56],"which":[57],"have":[58],"been":[59],"continually":[60],"developed":[61],"over":[62],"last":[64],"three":[65],"decades":[66],"with":[67,153,157],"all-atom":[68],"Hamiltonians":[69],"to":[70,76,97,138,175],"biomolecular":[72],"dynamics,":[75],"generate":[77],"accurate":[78],"structures":[80],"starting":[81],"inferred":[86],"Additionally,":[89],"ability":[91,134],"MD":[93],"empirical":[94],"physical":[95],"potentials":[96],"correct":[98,177],"inaccuracies":[99],"geometries":[103],"tested.":[105],"We":[106,150],"rigorously":[107],"characterize":[108],"effect":[110,117],"modeling":[112],"parameters":[113],"on":[114,127],"results,":[115],"different":[119],"amounts":[120],"error":[122],"distances":[126,155],"structures,":[130],"test":[132],"post-processing":[136],"analysis":[137],"sort":[139],"best":[141],"models":[142],"out":[143],"statistical":[148],"replicas.":[149],"find":[151],"exact":[154],"noisy":[158],"distances,":[159],"method":[161],"can":[162],"produce":[163],"excellent":[164],"structural":[165],"models,":[166],"force":[172],"field":[173],"seems":[174],"help":[176],"errors":[178],"distance":[180],"predictions,":[181],"resisting":[182],"effects":[184],"applied":[186],"noise.":[187]},"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W3192207631","counts_by_year":[],"updated_date":"2024-12-12T19:17:18.783760","created_date":"2021-08-16"}