{"id":"https://openalex.org/W2107104314","doi":"https://doi.org/10.1002/(sici)1096-987x(199706)18:8<1043::aid-jcc8>3.0.co;2-t","title":"Internal coordinate modeling of DNA: Force field comparisons","display_name":"Internal coordinate modeling of DNA: Force field comparisons","publication_year":1997,"publication_date":"1997-06-01","ids":{"openalex":"https://openalex.org/W2107104314","doi":"https://doi.org/10.1002/(sici)1096-987x(199706)18:8<1043::aid-jcc8>3.0.co;2-t","mag":"2107104314"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199706)18:8<1043::aid-jcc8>3.0.co;2-t","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199706)18:8<1043::aid-jcc8>3.0.co;2-t","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5080752757","display_name":"Delphine Flatters","orcid":"https://orcid.org/0000-0003-2273-3259"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I4210107423","display_name":"Institut de Biologie Physico-Chimique","ror":"https://ror.org/01na0pb61","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210096427","https://openalex.org/I4210107423"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Delphine Flatters","raw_affiliation_strings":["Lavoratoire de Biochimie The\u0301orique, CNRS URA 77, Institut de Biologie Physico-Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","Lavoratoire de Biochimie Th\u00e9orique, CNRS URA 77, Institut de Biologie Physico\u2010Chimique 13, rue Pierre et Marie Curie, Paris 75005, France"],"affiliations":[{"raw_affiliation_string":"Lavoratoire de Biochimie The\u0301orique, CNRS URA 77, Institut de Biologie Physico-Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","institution_ids":["https://openalex.org/I4210107423","https://openalex.org/I39804081","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Lavoratoire de Biochimie Th\u00e9orique, CNRS URA 77, Institut de Biologie Physico\u2010Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","institution_ids":["https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065994562","display_name":"K. Zakrzewska","orcid":"https://orcid.org/0000-0003-0184-4785"},"institutions":[{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210107423","display_name":"Institut de Biologie Physico-Chimique","ror":"https://ror.org/01na0pb61","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210096427","https://openalex.org/I4210107423"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Krystyna Zakrzewska","raw_affiliation_strings":["Lavoratoire de Biochimie The\u0301orique, CNRS URA 77, Institut de Biologie Physico-Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","Lavoratoire de Biochimie Th\u00e9orique, CNRS URA 77, Institut de Biologie Physico\u2010Chimique 13, rue Pierre et Marie Curie, Paris 75005, France"],"affiliations":[{"raw_affiliation_string":"Lavoratoire de Biochimie The\u0301orique, CNRS URA 77, Institut de Biologie Physico-Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","institution_ids":["https://openalex.org/I4210107423","https://openalex.org/I39804081","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Lavoratoire de Biochimie Th\u00e9orique, CNRS URA 77, Institut de Biologie Physico\u2010Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","institution_ids":["https://openalex.org/I1294671590"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027973612","display_name":"Richard Lavery","orcid":"https://orcid.org/0000-0001-9901-6640"},"institutions":[{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I4210107423","display_name":"Institut de Biologie Physico-Chimique","ror":"https://ror.org/01na0pb61","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210096427","https://openalex.org/I4210107423"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Richard Lavery","raw_affiliation_strings":["Lavoratoire de Biochimie The\u0301orique, CNRS URA 77, Institut de Biologie Physico-Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","Lavoratoire de Biochimie Th\u00e9orique, CNRS URA 77, Institut de Biologie Physico\u2010Chimique 13, rue Pierre et Marie Curie, Paris 75005, France"],"affiliations":[{"raw_affiliation_string":"Lavoratoire de Biochimie The\u0301orique, CNRS URA 77, Institut de Biologie Physico-Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","institution_ids":["https://openalex.org/I4210107423","https://openalex.org/I39804081","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Lavoratoire de Biochimie Th\u00e9orique, CNRS URA 77, Institut de Biologie Physico\u2010Chimique 13, rue Pierre et Marie Curie, Paris 75005, France","institution_ids":["https://openalex.org/I1294671590"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5027973612"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I39804081","https://openalex.org/I4210107423"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":3.2364,"has_fulltext":false,"cited_by_count":47,"citation_normalized_percentile":{"value":0.93029141,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"18","issue":"8","first_page":"1043","last_page":"1055"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10432","display_name":"DNA and Nucleic Acid Chemistry","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/T10432","display_name":"DNA and Nucleic Acid Chemistry","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":0.9983999729156494,"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/T10044","display_name":"Protein Structure and Dynamics","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"}}],"keywords":[{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.7947264909744263},{"id":"https://openalex.org/keywords/cartesian-coordinate-system","display_name":"Cartesian coordinate system","score":0.6730837821960449},{"id":"https://openalex.org/keywords/internal-forces","display_name":"Internal forces","score":0.60990971326828},{"id":"https://openalex.org/keywords/coordinate-system","display_name":"Coordinate system","score":0.5533431172370911},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5167797803878784},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.4806465208530426},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.424826979637146},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.33069300651550293},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.308399498462677},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.2665364146232605},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.236689031124115},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1983954906463623},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.18906667828559875},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.12795805931091309},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.10772243142127991},{"id":"https://openalex.org/keywords/structural-engineering","display_name":"Structural engineering","score":0.1063566505908966},{"id":"https://openalex.org/keywords/pure-mathematics","display_name":"Pure mathematics","score":0.07413551211357117}],"concepts":[{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.7947264909744263},{"id":"https://openalex.org/C16038011","wikidata":"https://www.wikidata.org/wiki/Q62912","display_name":"Cartesian coordinate system","level":2,"score":0.6730837821960449},{"id":"https://openalex.org/C2986502102","wikidata":"https://www.wikidata.org/wiki/Q4291900","display_name":"Internal forces","level":2,"score":0.60990971326828},{"id":"https://openalex.org/C80551277","wikidata":"https://www.wikidata.org/wiki/Q11210","display_name":"Coordinate system","level":2,"score":0.5533431172370911},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5167797803878784},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4806465208530426},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.424826979637146},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.33069300651550293},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.308399498462677},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2665364146232605},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.236689031124115},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1983954906463623},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.18906667828559875},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.12795805931091309},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.10772243142127991},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.1063566505908966},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.07413551211357117}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199706)18:8<1043::aid-jcc8>3.0.co;2-t","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199706)18:8<1043::aid-jcc8>3.0.co;2-t","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W33216127","https://openalex.org/W1968965501","https://openalex.org/W1975700737","https://openalex.org/W1976682620","https://openalex.org/W1979433141","https://openalex.org/W1981128082","https://openalex.org/W1992373789","https://openalex.org/W1993195605","https://openalex.org/W1993417607","https://openalex.org/W1996294655","https://openalex.org/W2013795428","https://openalex.org/W2016545995","https://openalex.org/W2017769598","https://openalex.org/W2024214216","https://openalex.org/W2028363374","https://openalex.org/W2031074182","https://openalex.org/W2035322225","https://openalex.org/W2043203479","https://openalex.org/W2044348179","https://openalex.org/W2051923979","https://openalex.org/W2055798124","https://openalex.org/W2065003039","https://openalex.org/W2065105763","https://openalex.org/W2076846342","https://openalex.org/W2076980301","https://openalex.org/W2082753131","https://openalex.org/W2084201473","https://openalex.org/W2102834112","https://openalex.org/W2112301709","https://openalex.org/W2113443707","https://openalex.org/W2122199548","https://openalex.org/W2155524113","https://openalex.org/W2155714626","https://openalex.org/W4236139695"],"related_works":["https://openalex.org/W1020620338","https://openalex.org/W3127534742","https://openalex.org/W1036286070","https://openalex.org/W2028501277","https://openalex.org/W2372486955","https://openalex.org/W2138013202","https://openalex.org/W4385733071","https://openalex.org/W2247326821","https://openalex.org/W2966740236","https://openalex.org/W2612035765"],"abstract_inverted_index":{"The":[0,61],"Jumna":[1],"internal":[2,26],"coordinate":[3,29],"program":[4],"for":[5,17,100],"modeling":[6,30],"nucleic":[7],"acids":[8],"was":[9],"extended":[10],"to":[11,65,77,87],"include":[12],"the":[13,18,33,47,50,78,81,94],"force":[14,52,96],"field":[15,97],"developed":[16,99],"Amber":[19,83],"program.":[20],"This":[21],"forms":[22],"a":[23,88],"bridge":[24],"between":[25],"and":[27,37,54,72,86],"Cartesian":[28],"approaches.":[31],"Using":[32],"extensive":[34],"conformational":[35],"mapping":[36],"substate":[38],"search":[39],"facilities":[40],"available":[41],"within":[42],"Jumna,":[43],"we":[44],"rigorously":[45],"compared":[46],"behavior":[48],"of":[49,56,80,91],"different":[51,57],"fields":[53],"also":[55],"continuum":[58],"solvent":[59],"models.":[60],"results,":[62],"which":[63],"help":[64],"explain":[66],"trends":[67],"seen":[68],"in":[69],"earlier":[70],"minimization":[71],"molecular":[73],"dynamics":[74],"simulations,":[75],"point":[76],"superiority":[79],"latest":[82],"parameterization":[84],"(Parm94)":[85],"surprising":[89],"degree":[90],"agreement":[92],"with":[93],"Flex":[95],"originally":[98],"Jumna.":[101],"\u00a9":[102],"1997":[103,113],"John":[104],"Wiley":[105],"&":[106],"Sons,":[107],"Inc.":[108],"J":[109],"Comput":[110],"Chem":[111],"18:1043\u20131055,":[112]},"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2013,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
