{"id":"https://openalex.org/W1978943385","doi":"https://doi.org/10.1371/journal.pcbi.0030021","title":"Mechanochemical Coupling in the Myosin Motor Domain. I. Insights from Equilibrium Active-Site Simulations","display_name":"Mechanochemical Coupling in the Myosin Motor Domain. I. Insights from Equilibrium Active-Site Simulations","publication_year":2007,"publication_date":"2007-02-06","ids":{"openalex":"https://openalex.org/W1978943385","doi":"https://doi.org/10.1371/journal.pcbi.0030021","mag":"1978943385","pmid":"https://pubmed.ncbi.nlm.nih.gov/17291159"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.0030021","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.0030021","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.0030021&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.0030021&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5015074981","display_name":"Haibo Yu","orcid":"https://orcid.org/0000-0002-1099-2803"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Haibo Yu","raw_affiliation_strings":["Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012477943","display_name":"Liang Ma","orcid":"https://orcid.org/0000-0002-9427-4664"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Liang Ma","raw_affiliation_strings":["","Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America"],"affiliations":[{"raw_affiliation_string":"","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100397841","display_name":"Yang Yang","orcid":"https://orcid.org/0009-0006-9656-520X"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yang Yang","raw_affiliation_strings":["","Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America"],"affiliations":[{"raw_affiliation_string":"","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036789652","display_name":"Qiang Cui","orcid":"https://orcid.org/0000-0001-6214-5211"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Qiang Cui","raw_affiliation_strings":["","Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America"],"affiliations":[{"raw_affiliation_string":"","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, United States of America","institution_ids":["https://openalex.org/I135310074"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5036789652"],"corresponding_institution_ids":["https://openalex.org/I135310074"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":3.5298,"has_fulltext":true,"cited_by_count":56,"citation_normalized_percentile":{"value":0.92446303,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"3","issue":"2","first_page":"e21","last_page":"e21"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10923","display_name":"Force Microscopy Techniques and Applications","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10923","display_name":"Force Microscopy Techniques and Applications","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10882","display_name":"Cardiomyopathy and Myosin Studies","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10913","display_name":"Molecular Junctions and Nanostructures","score":0.9894999861717224,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/atp-hydrolysis","display_name":"ATP hydrolysis","score":0.6948705315589905},{"id":"https://openalex.org/keywords/molecular-motor","display_name":"Molecular motor","score":0.6758460998535156},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.6262993812561035},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5600035786628723},{"id":"https://openalex.org/keywords/population","display_name":"Population","score":0.5590918660163879},{"id":"https://openalex.org/keywords/myosin","display_name":"Myosin","score":0.5380799770355225},{"id":"https://openalex.org/keywords/motor-protein","display_name":"Motor protein","score":0.46889084577560425},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.45735374093055725},{"id":"https://openalex.org/keywords/coupling","display_name":"Coupling (piping)","score":0.4469706118106842},{"id":"https://openalex.org/keywords/adenosine-triphosphate","display_name":"Adenosine triphosphate","score":0.42349156737327576},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3719404935836792},{"id":"https://openalex.org/keywords/atpase","display_name":"ATPase","score":0.242040753364563},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.13712039589881897},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.13611295819282532},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.12640953063964844},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.10062354803085327}],"concepts":[{"id":"https://openalex.org/C141315368","wikidata":"https://www.wikidata.org/wiki/Q4654881","display_name":"ATP hydrolysis","level":4,"score":0.6948705315589905},{"id":"https://openalex.org/C160408235","wikidata":"https://www.wikidata.org/wiki/Q423905","display_name":"Molecular motor","level":2,"score":0.6758460998535156},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.6262993812561035},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5600035786628723},{"id":"https://openalex.org/C2908647359","wikidata":"https://www.wikidata.org/wiki/Q2625603","display_name":"Population","level":2,"score":0.5590918660163879},{"id":"https://openalex.org/C6997183","wikidata":"https://www.wikidata.org/wiki/Q271727","display_name":"Myosin","level":2,"score":0.5380799770355225},{"id":"https://openalex.org/C93126451","wikidata":"https://www.wikidata.org/wiki/Q2383767","display_name":"Motor protein","level":3,"score":0.46889084577560425},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.45735374093055725},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.4469706118106842},{"id":"https://openalex.org/C2779564974","wikidata":"https://www.wikidata.org/wiki/Q80863","display_name":"Adenosine triphosphate","level":2,"score":0.42349156737327576},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3719404935836792},{"id":"https://openalex.org/C23265538","wikidata":"https://www.wikidata.org/wiki/Q300033","display_name":"ATPase","level":3,"score":0.242040753364563},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.13712039589881897},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.13611295819282532},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.12640953063964844},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.10062354803085327},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C20418707","wikidata":"https://www.wikidata.org/wiki/Q189933","display_name":"Microtubule","level":2,"score":0.0},{"id":"https://openalex.org/C149923435","wikidata":"https://www.wikidata.org/wiki/Q37732","display_name":"Demography","level":1,"score":0.0},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009218","descriptor_name":"Myosins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020409","descriptor_name":"Molecular Motor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D040542","descriptor_name":"Mechanotransduction, Cellular","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D040542","descriptor_name":"Mechanotransduction, Cellular","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D040542","descriptor_name":"Mechanotransduction, Cellular","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D040542","descriptor_name":"Mechanotransduction, Cellular","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false}],"locations_count":8,"locations":[{"id":"doi:10.1371/journal.pcbi.0030021","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.0030021","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.0030021&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},{"id":"pmid:17291159","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17291159","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:ro.uow.edu.au:scipapers-8232","is_oa":false,"landing_page_url":"https://ro.uow.edu.au/scipapers/4889","pdf_url":null,"source":{"id":"https://openalex.org/S4306400510","display_name":"Research Online (University of Wollongong)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I204824540","host_organization_name":"University of Wollongong","host_organization_lineage":["https://openalex.org/I204824540"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty of Science - Papers (Archive)","raw_type":"article"},{"id":"pmh:oai:doaj.org/article:25de710f57d149ea823faec316803d44","is_oa":true,"landing_page_url":"https://doaj.org/article/25de710f57d149ea823faec316803d44","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 3, Iss 2, p e21 (2007)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:2622229","is_oa":true,"landing_page_url":"http://europepmc.org/articles/PMC1796662","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:figshare.com:article/152431","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Mechanochemical_Coupling_in_the_Myosin_Motor_Domain_I_Insights_from_Equilibrium_Active_Site_Simulations/152431","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dataset"},{"id":"pmh:oai:figshare.com:article/27635607","is_oa":true,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"pmh:oai:pubmedcentral.nih.gov:1796662","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/1796662","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Comput Biol","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.0030021","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.0030021","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.0030021&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.6800000071525574}],"awards":[{"id":"https://openalex.org/G5534770762","display_name":null,"funder_award_id":"R01-GM071428","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6500154223","display_name":null,"funder_award_id":"R01-GM071428-02","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332222","display_name":"University of Illinois at Urbana-Champaign","ror":"https://ror.org/047426m28"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1978943385.pdf","grobid_xml":"https://content.openalex.org/works/W1978943385.grobid-xml"},"referenced_works_count":95,"referenced_works":["https://openalex.org/W133369315","https://openalex.org/W600624589","https://openalex.org/W610636697","https://openalex.org/W832504483","https://openalex.org/W1521008149","https://openalex.org/W1546896179","https://openalex.org/W1596885366","https://openalex.org/W1893057187","https://openalex.org/W1967213708","https://openalex.org/W1967906546","https://openalex.org/W1968266458","https://openalex.org/W1969723894","https://openalex.org/W1971662505","https://openalex.org/W1974980238","https://openalex.org/W1975877124","https://openalex.org/W1975945758","https://openalex.org/W1976499671","https://openalex.org/W1980374511","https://openalex.org/W1983125291","https://openalex.org/W1983351047","https://openalex.org/W1983493485","https://openalex.org/W1989292265","https://openalex.org/W1989906072","https://openalex.org/W1990529462","https://openalex.org/W1992780542","https://openalex.org/W1993177346","https://openalex.org/W1996519928","https://openalex.org/W1999938940","https://openalex.org/W2004303971","https://openalex.org/W2009123297","https://openalex.org/W2010695307","https://openalex.org/W2021268632","https://openalex.org/W2022696619","https://openalex.org/W2023472866","https://openalex.org/W2026145805","https://openalex.org/W2027408247","https://openalex.org/W2027815611","https://openalex.org/W2030800594","https://openalex.org/W2031045201","https://openalex.org/W2033464917","https://openalex.org/W2034323480","https://openalex.org/W2041902442","https://openalex.org/W2045342417","https://openalex.org/W2046167970","https://openalex.org/W2047962024","https://openalex.org/W2049902647","https://openalex.org/W2050366392","https://openalex.org/W2051893115","https://openalex.org/W2053004995","https://openalex.org/W2057052341","https://openalex.org/W2059844062","https://openalex.org/W2061579713","https://openalex.org/W2062238290","https://openalex.org/W2062788730","https://openalex.org/W2067763399","https://openalex.org/W2070554031","https://openalex.org/W2073623394","https://openalex.org/W2073965063","https://openalex.org/W2076860579","https://openalex.org/W2077999459","https://openalex.org/W2081517798","https://openalex.org/W2085239860","https://openalex.org/W2086871476","https://openalex.org/W2087803801","https://openalex.org/W2088927967","https://openalex.org/W2091574192","https://openalex.org/W2092006899","https://openalex.org/W2094879588","https://openalex.org/W2097546936","https://openalex.org/W2102145519","https://openalex.org/W2102376488","https://openalex.org/W2106140689","https://openalex.org/W2107007872","https://openalex.org/W2107778053","https://openalex.org/W2112154906","https://openalex.org/W2114347697","https://openalex.org/W2115928493","https://openalex.org/W2117551288","https://openalex.org/W2117645861","https://openalex.org/W2124916370","https://openalex.org/W2129473723","https://openalex.org/W2140113228","https://openalex.org/W2142872962","https://openalex.org/W2146906574","https://openalex.org/W2151274733","https://openalex.org/W2154535641","https://openalex.org/W2157107740","https://openalex.org/W2157134937","https://openalex.org/W2159631911","https://openalex.org/W2162166182","https://openalex.org/W2167486610","https://openalex.org/W2170146581","https://openalex.org/W2614767951","https://openalex.org/W4206836857","https://openalex.org/W4318715870"],"related_works":["https://openalex.org/W2141499882","https://openalex.org/W642093732","https://openalex.org/W1679408412","https://openalex.org/W2005620429","https://openalex.org/W2055027542","https://openalex.org/W1981068779","https://openalex.org/W2056204461","https://openalex.org/W4324020886","https://openalex.org/W2167320414","https://openalex.org/W2134981881"],"abstract_inverted_index":{"Although":[0],"the":[1,14,20,24,34,62,65,71,78,100,109,116,123,126,132,143,147,156,170,179,186,200,210,217,241,259,272,279,285,290],"major":[2],"structural":[3,98,161,206,229],"transitions":[4],"in":[5,23,48,155,169,199,240,262],"molecular":[6,252],"motors":[7],"are":[8,135],"often":[9],"argued":[10],"to":[11,13,30,60,142,184,216,223],"couple":[12,141],"binding":[15],"of":[16,36,64,70,77,86,97,118,125,146,159,166,175,258],"Adenosine":[17],"triphosphate":[18],"(ATP),":[19],"recovery":[21],"stroke":[22],"conventional":[25],"myosin":[26],"has":[27],"been":[28,57],"shown":[29],"be":[31],"dependent":[32],"on":[33],"hydrolysis":[35,88,119,294],"ATP.":[37],"To":[38],"obtain":[39],"a":[40,164,247],"clearer":[41],"mechanistic":[42],"picture":[43,152],"for":[44,107,236],"such":[45],"\"mechanochemical":[46],"coupling\"":[47],"myosin,":[49],"equilibrium":[50],"active-site":[51,91],"simulations":[52],"with":[53,83,89,266],"explicit":[54],"solvent":[55],"have":[56],"carried":[58],"out":[59],"probe":[61],"behavior":[63],"motor":[66,171,218],"domain":[67,219],"as":[68,163],"functions":[69],"nucleotide":[72],"chemical":[73,291],"state":[74],"and":[75,93,178,193,212,288],"conformation":[76],"converter/relay":[79],"helix.":[80],"In":[81],"conjunction":[82],"previous":[84],"studies":[85],"ATP":[87],"different":[90,160,228,256,263],"conformations":[92],"normal":[94],"mode":[95],"analysis":[96],"flexibility,":[99],"results":[101],"help":[102],"establish":[103],"an":[104],"energetics-based":[105],"framework":[106],"understanding":[108],"mechanochemical":[110],"coupling.":[111],"It":[112,202],"is":[113,183,203,245],"proposed":[114],"that":[115,195,205,238,274],"activation":[117],"does":[120],"not":[121],"require":[122],"rotation":[124],"lever":[127,280],"arm":[128,269,281],"per":[129],"se,":[130],"but":[131],"two":[133],"processes":[134,237],"tightly":[136],"coordinated":[137],"because":[138],"both":[139,209],"strongly":[140],"open/close":[144],"transition":[145],"active":[148,260,286],"site.":[149],"The":[150,173,254],"underlying":[151],"involves":[153],"shifts":[154],"dominant":[157],"population":[158],"motifs":[162,230],"consequence":[165],"changes":[167],"elsewhere":[168],"domain.":[172],"contribution":[174],"this":[176],"work":[177],"accompanying":[180],"paper":[181],"[]":[182],"propose":[185],"actual":[187],"mechanism":[188],"behind":[189],"these":[190],"\"population":[191],"shifts\"":[192],"residues":[194],"play":[196],"important":[197],"roles":[198],"process.":[201],"suggested":[204],"flexibilities":[207],"at":[208],"small":[211,233],"large":[213],"scales":[214],"inherent":[215],"make":[220],"it":[221],"possible":[222],"implement":[224],"tight":[225],"couplings":[226],"between":[227],"while":[231],"maintaining":[232],"free-energy":[234],"drops":[235],"occur":[239],"detached":[242],"states,":[243],"which":[244],"likely":[246],"feature":[248],"shared":[249],"among":[250],"many":[251],"motors.":[253],"significantly":[255],"flexibility":[257],"site":[261,287],"X-ray":[264],"structures":[265],"variable":[267],"level":[268],"orientations":[270],"supports":[271],"notation":[273],"external":[275],"force":[276],"sensed":[277],"by":[278],"may":[282],"transmit":[283],"into":[284],"influence":[289],"steps":[292],"(nucleotide":[293],"and/or":[295],"binding).":[296]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":8}],"updated_date":"2026-04-05T17:49:38.594831","created_date":"2025-10-10T00:00:00"}