{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,22]],"date-time":"2026-10-22T13:18:51Z","timestamp":1792675131829,"version":"4.5.0"},"reference-count":99,"publisher":"American Chemical Society (ACS)","issue":"37","license":[{"start":{"date-parts":[[2025,9,8]],"date-time":"2025-09-08T00:00:00Z","timestamp":1757289600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001711","name":"Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung","doi-asserted-by":"publisher","award":["200021_204795"],"award-info":[{"award-number":["200021_204795"]}],"id":[{"id":"10.13039\/501100001711","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001711","name":"Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung","doi-asserted-by":"publisher","award":["40B2-0_203628"],"award-info":[{"award-number":["40B2-0_203628"]}],"id":[{"id":"10.13039\/501100001711","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001711","name":"Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung","doi-asserted-by":"publisher","award":["CRSII5_216587"],"award-info":[{"award-number":["CRSII5_216587"]}],"id":[{"id":"10.13039\/501100001711","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100021847","name":"Centro Svizzero di Calcolo Scientifico","doi-asserted-by":"publisher","award":["lp84"],"award-info":[{"award-number":["lp84"]}],"id":[{"id":"10.13039\/501100021847","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100021847","name":"Centro Svizzero di Calcolo Scientifico","doi-asserted-by":"publisher","award":["s1228"],"award-info":[{"award-number":["s1228"]}],"id":[{"id":"10.13039\/501100021847","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100021847","name":"Centro Svizzero di Calcolo Scientifico","doi-asserted-by":"publisher","award":["s1274"],"award-info":[{"award-number":["s1274"]}],"id":[{"id":"10.13039\/501100021847","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. Lett."],"published-print":{"date-parts":[[2025,9,18]]},"DOI":"10.1021\/acs.jpclett.5c02079","type":"journal-article","created":{"date-parts":[[2025,9,8]],"date-time":"2025-09-08T12:39:04Z","timestamp":1757335144000},"page":"9636-9645","source":"Crossref","is-referenced-by-count":5,"title":["The Arch from the Stones: Understanding Protein Folding Energy Landscapes via Bioinspired Collective Variables"],"prefix":"10.1021","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5126-8996","authenticated-orcid":true,"given":"Valerio","family":"Rizzi","sequence":"first","affiliation":[{"name":"School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, CH-1206 Geneva, CH, Switzerland"},{"name":"Institute of Pharmaceutical Sciences of Western Switzerland","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]},{"name":"Swiss Bioinformatics Institute","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8394-0406","authenticated-orcid":true,"given":"Margaux","family":"H\u00e9ritier","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, CH-1206 Geneva, CH, Switzerland"},{"name":"Institute of Pharmaceutical Sciences of Western Switzerland","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2760-4640","authenticated-orcid":true,"given":"Nicola","family":"Piasentin","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, CH-1206 Geneva, CH, Switzerland"},{"name":"Institute of Pharmaceutical Sciences of Western Switzerland","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]},{"name":"Swiss Bioinformatics Institute","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4938-8603","authenticated-orcid":true,"given":"Simone","family":"Aureli","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, CH-1206 Geneva, CH, Switzerland"},{"name":"Institute of Pharmaceutical Sciences of Western Switzerland","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]},{"name":"Swiss Bioinformatics Institute","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4831-5039","authenticated-orcid":true,"given":"Francesco Luigi","family":"Gervasio","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, CH-1206 Geneva, CH, Switzerland"},{"name":"Institute of Pharmaceutical Sciences of Western Switzerland","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]},{"name":"Swiss Bioinformatics Institute","place":["Geneva, Switzerland"]},{"name":"University of Geneva","place":["Geneva, Switzerland"]},{"name":"Department of Chemistry","place":["London, United Kingdom"]},{"name":"University College London","place":["London, United Kingdom"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,9,8]]},"reference":[{"key":"ref1\/cit1","volume-title":"Le Citt\u00e0 Invisibili [Invisible Cities]","author":"Calvino I.","year":"1972"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19980420)37:7<868::AID-ANIE868>3.0.CO;2-H"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biophys.37.092707.153558"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1126\/science.1219021"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/pro.4096"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2315000121"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)64177-8"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2214423119"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/bi030192l"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2319249121"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22803"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2013.09.048"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/s41589-025-01879-3"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.132.048402"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1126\/science.1208351"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1111796109"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.114.098103"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.110.108106"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1051\/jcp\/1968650044"},{"key":"ref21\/cit21","first-page":"22","volume":"67","author":"Levinthal C.","year":"1969","journal-title":"M\u00f6ssbauer Spectrosc. Biol. Syst. Proc."},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.1c00687"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1126\/science.7886447"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340210302"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.1162"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2004.01.009"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360281003"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0400157101"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5b01143"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.3693"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-040215-112229"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1145\/1364782.1364802"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","unstructured":"Shaw, D. E.; Adams, P. J.; Azaria, A.; Bank, J. A.; Batson, B.; Bell, A.; Bergdorf, M.; Bhatt, J.; Butts, J. A.; Correia, T.  Anton 3: Twenty Microseconds of Molecular Dynamics Simulation before Lunch. Presented at  SC \u201921: The International Conference for High Performance Computing, Networking, Storage and Analysis; ACM,  2021, 10.1145\/3458817.3487397.","DOI":"10.1145\/3458817.3487397"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1126\/science.1187409"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1201811109"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1218321110"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00251"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2233312100"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/jp068826w"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/jp204407d"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00913"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01211"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ja062463w"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2113533118"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.202427399"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.100.020603"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00497"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevX.10.041034"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00152"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ct100413b"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/j.revip.2017.05.001"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-025-00834-5"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00254"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2013.824126"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ct900202f"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1000452"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1519712113"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.5053566"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2022.878133"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00051"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c00428"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-024-00645-0"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-025-00799-5"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c01603"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2004.05.022"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/ja8030533"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/gzm082"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1021\/jp067873l"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1610541113"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/ja903045y"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.5088418"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00934"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-20310-0"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c05301"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-33104-3"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.4c02352"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c01112"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1038\/s41421-024-00691-y"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.4c01166"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5c00600"},{"key":"ref81\/cit81","unstructured":"Welling, M. Fisher Linear Discriminant Analysis; Department of Computer Science, University of Toronto, 2006."},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0905744106"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1063\/5.0156343"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1063\/5.0202156"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1063\/5.0226721"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-025-00828-3"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.8b00733"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00535"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c02317"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c03993"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.120176397"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.09.018"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1021\/bi501021r"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b03706"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.3c05669"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.108.136267"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-019-0506-8"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1063\/5.0251501"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"}],"container-title":["The Journal of Physical Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpclett.5c02079","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpclett.5c02079","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,9,18]],"date-time":"2025-09-18T08:12:47Z","timestamp":1758183167000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.5c02079"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9,8]]},"references-count":99,"journal-issue":{"issue":"37","published-print":{"date-parts":[[2025,9,18]]}},"alternative-id":["10.1021\/acs.jpclett.5c02079"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpclett.5c02079","relation":{},"ISSN":["1948-7185","1948-7185"],"issn-type":[{"value":"1948-7185","type":"print"},{"value":"1948-7185","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,9,8]]}}}