{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,25]],"date-time":"2025-07-25T09:59:20Z","timestamp":1753437560816,"version":"3.37.3"},"reference-count":68,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2022,2,3]],"date-time":"2022-02-03T00:00:00Z","timestamp":1643846400000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001823","name":"Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy","doi-asserted-by":"publisher","award":["LM2015085","LM2018131","LM2018140"],"award-info":[{"award-number":["LM2015085","LM2018131","LM2018140"]}],"id":[{"id":"10.13039\/501100001823","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001824","name":"Grantov? Agentura Cesk? Republiky","doi-asserted-by":"publisher","award":["9-16857S"],"award-info":[{"award-number":["9-16857S"]}],"id":[{"id":"10.13039\/501100001824","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,2,14]]},"DOI":"10.1021\/acs.jcim.1c00651","type":"journal-article","created":{"date-parts":[[2022,2,3]],"date-time":"2022-02-03T16:40:58Z","timestamp":1643906458000},"page":"567-576","source":"Crossref","is-referenced-by-count":3,"title":["Property Map Collective Variable as a Useful Tool for a Force Field Correction"],"prefix":"10.1021","volume":"62","author":[{"given":"Dalibor","family":"Trapl","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technick\u00e1 5, Prague 6 166 28, Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9132-5825","authenticated-orcid":true,"given":"Martin","family":"Krupi\u010dka","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry, University of Chemistry and Technology, Technick\u00e1 5, Prague 6 166 28, Czech Republic"}]},{"given":"Vladim\u00edr","family":"Vi\u0161\u0148ovsk\u00fd","sequence":"additional","affiliation":[{"name":"Institute of Computer Science, Masaryk University, Botanick\u00e1 554\/68a, Brno 602 00, Czech Republic"}]},{"given":"Jana","family":"Hozzov\u00e1","sequence":"additional","affiliation":[{"name":"Institute of Computer Science, Masaryk University, Botanick\u00e1 554\/68a, Brno 602 00, Czech Republic"}]},{"given":"Jaroslav","family":"Ol\u2019ha","sequence":"additional","affiliation":[{"name":"Institute of Computer Science, Masaryk University, Botanick\u00e1 554\/68a, Brno 602 00, Czech Republic"}]},{"given":"Ale\u0161","family":"K\u0159enek","sequence":"additional","affiliation":[{"name":"Institute of Computer Science, Masaryk University, Botanick\u00e1 554\/68a, Brno 602 00, Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8108-2033","authenticated-orcid":true,"given":"Vojt\u011bch","family":"Spiwok","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technick\u00e1 5, Prague 6 166 28, Czech Republic"}]}],"member":"316","published-online":{"date-parts":[[2022,2,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22711"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0032131"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b00517"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1713027115"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20820"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2016.01.029"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-011-9517-y"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jm030563w"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21838"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ci300363c"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00640"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/5.0019056"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00864"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01026"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00630"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.10"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00506"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ct401118k"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.0c01111"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2019.02.007"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.98.146401"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1039\/C6SC05720A"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1101\/2020.07.29.227959"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.2432340"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.202427399"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-61779-465-0_29"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/1.3660208"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.4914828"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.09.018"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1155\/2014\/357027"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref34\/cit34","unstructured":"Trapl, D.; Spiwok, V. Analysis of the Results of Metadynamics Simulations by metadynminer and metadynminer3d. 2020. https:\/\/arxiv.org\/abs\/2009.02241 (accessed 2022-02-01)."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-020-00637-5"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-019-0506-8"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ja00124a002"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ar9500675"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21123"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10349"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.042496899"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.100.020603"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ct050123f"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/5.0007045"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00118"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/jp054359r"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21442"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/jp067873l"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.0.CO;2-M"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1327"},{"key":"ref57\/cit57","unstructured":"van der Maaten, L. Learning a Parametric Embedding by Preserving Local Structure. Hilton Clearwater Beach Resort, Clearwater Beach, Florida, USA, 2009; pp 384\u2013391."},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.3233\/978-1-61499-649-1-87."},{"key":"ref59\/cit59","first-page":"2","volume":"2014","author":"Merkel D.","year":"2014","journal-title":"Linux J."},{"volume-title":"Kubernetes: up and running: dive into the future of infrastructure","year":"2019","author":"Burns B.","key":"ref60\/cit60"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(63)80023-6"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/jp100950w"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444906047287"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/jps.22772"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ja036959e"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1063\/1.4978939"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.4978296"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(00)00129-0"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00651","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00651","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T12:01:02Z","timestamp":1682596862000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c00651"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,2,3]]},"references-count":68,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2022,2,14]]}},"alternative-id":["10.1021\/acs.jcim.1c00651"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c00651","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2022,2,3]]}}}