{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T22:24:59Z","timestamp":1767997499075,"version":"3.49.0"},"reference-count":46,"publisher":"Elsevier BV","issue":"1","license":[{"start":{"date-parts":[[2023,1,1]],"date-time":"2023-01-01T00:00:00Z","timestamp":1672531200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2023,1,1]],"date-time":"2023-01-01T00:00:00Z","timestamp":1672531200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,11,29]],"date-time":"2022-11-29T00:00:00Z","timestamp":1669680000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100011724","name":"Muscular Dystrophy UK","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100011724","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/R029407\/1"],"award-info":[{"award-number":["EP\/R029407\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100008164","name":"Muscular Dystrophy UK","doi-asserted-by":"publisher","award":["19GRO-PS48-0146"],"award-info":[{"award-number":["19GRO-PS48-0146"]}],"id":[{"id":"10.13039\/501100008164","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["cell.com","elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Biophysical Journal"],"published-print":{"date-parts":[[2023,1]]},"DOI":"10.1016\/j.bpj.2022.11.2942","type":"journal-article","created":{"date-parts":[[2022,11,29]],"date-time":"2022-11-29T12:39:38Z","timestamp":1669725578000},"page":"54-62","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":7,"title":["Comparative study of binding pocket structure and dynamics in cardiac and skeletal myosin"],"prefix":"10.1016","volume":"122","author":[{"given":"Anna Katarina","family":"Antonovic","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Julien","family":"Ochala","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6554-3979","authenticated-orcid":false,"given":"Arianna","family":"Fornili","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.bpj.2022.11.2942_bib1","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1136\/jmedgenet-2016-103881","article-title":"Novel myosin-based therapies for congenital cardiac and skeletal myopathies","volume":"53","author":"Ochala","year":"2016","journal-title":"J.\u00a0Med. Genet."},{"key":"10.1016\/j.bpj.2022.11.2942_bib2","doi-asserted-by":"crossref","first-page":"1439","DOI":"10.1126\/science.1200113","article-title":"Cardiac myosin activation: a potential therapeutic approach for systolic heart failure","volume":"331","author":"Malik","year":"2011","journal-title":"Science"},{"key":"10.1016\/j.bpj.2022.11.2942_bib3","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1056\/NEJMoa2025797","article-title":"Cardiac myosin activation with omecamtiv mecarbil in systolic heart failure","volume":"384","author":"Teerlink","year":"2021","journal-title":"N.\u00a0Engl. J. Med."},{"key":"10.1016\/j.bpj.2022.11.2942_bib4","doi-asserted-by":"crossref","first-page":"1649","DOI":"10.1002\/ejhf.1933","article-title":"Effects of danicamtiv, a novel cardiac myosin activator, in heart failure with reduced ejection fraction: experimental data and clinical results from a phase 2a trial","volume":"22","author":"Voors","year":"2020","journal-title":"Eur. J. Heart Fail."},{"key":"10.1016\/j.bpj.2022.11.2942_bib5","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1126\/science.aad3456","article-title":"A small-molecule inhibitor of sarcomere contractility suppresses hypertrophic cardiomyopathy in mice","volume":"351","author":"Green","year":"2016","journal-title":"Science"},{"key":"10.1016\/j.bpj.2022.11.2942_bib6","doi-asserted-by":"crossref","first-page":"14142","DOI":"10.1021\/acs.jmedchem.1c01290","article-title":"Discovery of aficamten (CK-274), a next-generation cardiac myosin inhibitor for the treatment of hypertrophic cardiomyopathy","volume":"64","author":"Chuang","year":"2021","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.bpj.2022.11.2942_bib7","doi-asserted-by":"crossref","first-page":"6438","DOI":"10.1021\/acs.jcim.0c00953","article-title":"Heart failure drug modifies the intrinsic dynamics of the pre-power stroke state of cardiac myosin","volume":"60","author":"Hashem","year":"2020","journal-title":"J.\u00a0Chem. Inf. Model."},{"key":"10.1016\/j.bpj.2022.11.2942_bib8","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1038\/s41467-017-00176-5","article-title":"Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil","volume":"8","author":"Planelles-Herrero","year":"2017","journal-title":"Nat. Commun."},{"key":"10.1016\/j.bpj.2022.11.2942_bib9","doi-asserted-by":"crossref","first-page":"7974","DOI":"10.1038\/ncomms8974","article-title":"Structural basis for drug-induced allosteric changes to human beta-cardiac myosin motor activity","volume":"6","author":"Winkelmann","year":"2015","journal-title":"Nat. Commun."},{"key":"10.1016\/j.bpj.2022.11.2942_bib10","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pcbi.1005826","article-title":"Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil","volume":"13","author":"Hashem","year":"2017","journal-title":"PLoS Comput. Biol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib11","doi-asserted-by":"crossref","first-page":"3838","DOI":"10.1038\/s41467-018-06193-2","article-title":"Positive cardiac inotrope omecamtiv mecarbil activates muscle despite suppressing the myosin working stroke","volume":"9","author":"Woody","year":"2018","journal-title":"Nat. Commun."},{"key":"10.1016\/j.bpj.2022.11.2942_bib12","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1113\/JP275050","article-title":"Omecamtiv mercabil and blebbistatin modulate cardiac contractility by perturbing the regulatory state of the myosin filament","volume":"596","author":"Kampourakis","year":"2018","journal-title":"J.\u00a0Physiol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib13","doi-asserted-by":"crossref","first-page":"378","DOI":"10.1038\/nsmb908","article-title":"The structural basis of blebbistatin inhibition and specificity for myosin II","volume":"12","author":"Allingham","year":"2005","journal-title":"Nat. Struct. Mol. Biol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib14","doi-asserted-by":"crossref","DOI":"10.7554\/eLife.63691","article-title":"Myosin with hypertrophic cardiac mutation R712L has a decreased working stroke which is rescued by omecamtiv mecarbil","volume":"10","author":"Snoberger","year":"2021","journal-title":"Elife"},{"key":"10.1016\/j.bpj.2022.11.2942_bib15","doi-asserted-by":"crossref","first-page":"E1796","DOI":"10.1073\/pnas.1611698114","article-title":"Heart failure drug changes the mechanoenzymology of the cardiac myosin powerstroke","volume":"114","author":"Rohde","year":"2017","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.bpj.2022.11.2942_bib16","doi-asserted-by":"crossref","DOI":"10.1172\/JCI148557","article-title":"Myosin modulators: emerging approaches for the treatment of cardiomyopathies and heart failure","volume":"132","author":"Day","year":"2022","journal-title":"J.\u00a0Clin. Invest."},{"key":"10.1016\/j.bpj.2022.11.2942_bib17","doi-asserted-by":"crossref","first-page":"1963","DOI":"10.1021\/bi5015166","article-title":"Omecamtiv mecarbil modulates the kinetic and motile properties of porcine \u03b2-cardiac myosin","volume":"54","author":"Liu","year":"2015","journal-title":"Biochemistry"},{"key":"10.1016\/j.bpj.2022.11.2942_bib18","doi-asserted-by":"crossref","first-page":"3768","DOI":"10.1074\/jbc.M116.748780","article-title":"Omecamtiv mecarbil enhances the duty ratio of human \u03b2-cardiac myosin resulting in increased calcium sensitivity and slowed force development in cardiac muscle","volume":"292","author":"Swenson","year":"2017","journal-title":"J.\u00a0Biol. Chem."},{"key":"10.1016\/j.bpj.2022.11.2942_bib19","doi-asserted-by":"crossref","first-page":"17314","DOI":"10.1074\/jbc.RA119.010217","article-title":"Dilated cardiomyopathy mutation in the converter domain of human cardiac myosin alters motor activity and response to omecamtiv mecarbil","volume":"294","author":"Tang","year":"2019","journal-title":"J.\u00a0Biol. Chem."},{"key":"10.1016\/j.bpj.2022.11.2942_bib20","doi-asserted-by":"crossref","first-page":"3276","DOI":"10.1093\/bioinformatics\/btr550","article-title":"MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories","volume":"27","author":"Schmidtke","year":"2011","journal-title":"Bioinformatics"},{"key":"10.1016\/j.bpj.2022.11.2942_bib21","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/0022-2836(84)90309-7","article-title":"Analysis of membrane and surface protein sequences with the hydrophobic moment plot","volume":"179","author":"Eisenberg","year":"1984","journal-title":"J.\u00a0Mol. Biol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib22","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1016\/j.cell.2020.08.050","article-title":"Single residue variation in skeletal muscle myosin enables direct and selective drug targeting for spasticity and muscle stiffness","volume":"183","author":"Gyimesi","year":"2020","journal-title":"Cell"},{"key":"10.1016\/j.bpj.2022.11.2942_bib23","doi-asserted-by":"crossref","first-page":"W443","DOI":"10.1093\/nar\/gkv315","article-title":"PLIP: fully automated protein\u2013ligand interaction profiler","volume":"43","author":"Salentin","year":"2015","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bpj.2022.11.2942_bib24","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1186\/s40478-021-01168-9","article-title":"Filamentous tangles with nemaline rods in MYH2 myopathy: a novel phenotype","volume":"9","author":"Madigan","year":"2021","journal-title":"Acta Neuropathol. Commun."},{"key":"10.1016\/j.bpj.2022.11.2942_bib25","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1038\/nrneurol.2017.191","article-title":"Congenital myopathies: disorders of excitation\u2013contraction coupling and muscle contraction","volume":"14","author":"Jungbluth","year":"2018","journal-title":"Nat. Rev. Neurol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib26","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1002\/ana.24619","article-title":"Modulating myosin restores muscle function in a mouse model of nemaline myopathy","volume":"79","author":"Lindqvist","year":"2016","journal-title":"Ann. Neurol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib27","doi-asserted-by":"crossref","first-page":"427","DOI":"10.1152\/physrev.00061.2017","article-title":"Sarcopenia: aging-related loss of muscle mass and function","volume":"99","author":"Larsson","year":"2019","journal-title":"Physiol. Rev."},{"key":"10.1016\/j.bpj.2022.11.2942_bib28","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1006\/jmbi.1993.1626","article-title":"Comparative protein modelling by satisfaction of spatial restraints","volume":"234","author":"Sali","year":"1993","journal-title":"J.\u00a0Mol. Biol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib29","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1016\/S0022-2836(05)80360-2","article-title":"Basic local alignment search tool","volume":"215","author":"Altschul","year":"1990","journal-title":"J.\u00a0Mol. Biol."},{"key":"10.1016\/j.bpj.2022.11.2942_bib30","doi-asserted-by":"crossref","first-page":"4019","DOI":"10.1038\/s41467-018-06191-4","article-title":"Hypertrophic cardiomyopathy disease results from disparate impairments of cardiac myosin function and auto-inhibition","volume":"9","author":"Robert-Paganin","year":"2018","journal-title":"Nat. Commun."},{"key":"10.1016\/j.bpj.2022.11.2942_bib31","doi-asserted-by":"crossref","first-page":"W289","DOI":"10.1093\/nar\/gki390","article-title":"PRALINE: a multiple sequence alignment toolbox that integrates homology-extended and secondary structure information","volume":"33","author":"Simossis","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bpj.2022.11.2942_bib32","doi-asserted-by":"crossref","first-page":"2507","DOI":"10.1110\/ps.062416606","article-title":"Statistical potential for assessment and prediction of protein structures","volume":"15","author":"Shen","year":"2006","journal-title":"Protein Sci."},{"key":"10.1016\/j.bpj.2022.11.2942_bib33","doi-asserted-by":"crossref","first-page":"3381","DOI":"10.1093\/nar\/gkg520","article-title":"SWISS-MODEL: an automated protein homology-modeling server","volume":"31","author":"Schwede","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bpj.2022.11.2942_bib34","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1002\/prot.21715","article-title":"QMEAN: a comprehensive scoring function for model quality assessment","volume":"71","author":"Benkert","year":"2008","journal-title":"Proteins"},{"key":"10.1016\/j.bpj.2022.11.2942_bib35","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1002\/pro.3330","article-title":"MolProbity: more and better reference data for improved all-atom structure validation","volume":"27","author":"Williams","year":"2018","journal-title":"Protein Sci."},{"key":"10.1016\/j.bpj.2022.11.2942_bib36","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1107\/S0907444909042073","article-title":"MolProbity: all-atom structure validation for macromolecular crystallography","volume":"66","author":"Chen","year":"2010","journal-title":"Acta Crystallogr. D Biol. Crystallogr."},{"key":"10.1016\/j.bpj.2022.11.2942_bib37","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"Gromacs: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1-2","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"key":"10.1016\/j.bpj.2022.11.2942_bib38","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0032131","article-title":"Systematic validation of protein force fields against experimental data","volume":"7","author":"Lindorff-Larsen","year":"2012","journal-title":"PLoS One"},{"key":"10.1016\/j.bpj.2022.11.2942_bib39","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J.\u00a0Chem. Phys."},{"key":"10.1016\/j.bpj.2022.11.2942_bib40","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.0.CO;2-M","article-title":"Peptide folding: when simulation meets experiment","volume":"38","author":"Daura","year":"1999","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.bpj.2022.11.2942_bib41","doi-asserted-by":"crossref","first-page":"W582","DOI":"10.1093\/nar\/gkq383","article-title":"fpocket: online tools for protein ensemble pocket detection and tracking","volume":"38","author":"Schmidtke","year":"2010","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bpj.2022.11.2942_bib42","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1186\/s12859-014-0399-6","article-title":"Integrating protein structural dynamics and evolutionary analysis with Bio3D","volume":"15","author":"Skj\u00e6rven","year":"2014","journal-title":"BMC Bioinf."},{"key":"10.1016\/j.bpj.2022.11.2942_bib43","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J.\u00a0Mol. Graph."},{"key":"10.1016\/j.bpj.2022.11.2942_bib44","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.bpj.2022.11.2942_bib45","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.bpj.2022.11.2942_bib46","doi-asserted-by":"crossref","first-page":"2455","DOI":"10.1021\/ci2002704","article-title":"Rapid shape-based ligand alignment and virtual screening method based on atom\/feature-pair similarities and volume overlap scoring","volume":"51","author":"Sastry","year":"2011","journal-title":"J.\u00a0Chem. Inf. Model."}],"container-title":["Biophysical Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0006349522038607?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0006349522038607?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,13]],"date-time":"2025-09-13T17:04:50Z","timestamp":1757783090000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0006349522038607"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,1]]},"references-count":46,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2023,1]]}},"alternative-id":["S0006349522038607"],"URL":"https:\/\/doi.org\/10.1016\/j.bpj.2022.11.2942","relation":{},"ISSN":["0006-3495"],"issn-type":[{"value":"0006-3495","type":"print"}],"subject":[],"published":{"date-parts":[[2023,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Comparative study of binding pocket structure and dynamics in cardiac and skeletal myosin","name":"articletitle","label":"Article Title"},{"value":"Biophysical Journal","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bpj.2022.11.2942","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Biophysical Society.","name":"copyright","label":"Copyright"}]}}