{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,12]],"date-time":"2026-02-12T15:22:16Z","timestamp":1770909736657,"version":"3.50.1"},"reference-count":103,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T00:00:00Z","timestamp":1745193600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T00:00:00Z","timestamp":1745193600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T00:00:00Z","timestamp":1745193600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001502","name":"Department of Atomic Energy, Government of India","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001502","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Anusandhan National Research Foundation","award":["CRG\/2022\/001096"],"award-info":[{"award-number":["CRG\/2022\/001096"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,5,12]]},"DOI":"10.1021\/acs.jcim.5c00401","type":"journal-article","created":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T10:43:51Z","timestamp":1745232231000},"page":"4729-4739","source":"Crossref","is-referenced-by-count":1,"title":["Methyl\u2022\u2022\u2022Methyl Interactions in Proteins: Insights from Structural and Computational Studies"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6078-794X","authenticated-orcid":true,"given":"Juhi","family":"Dutta","sequence":"first","affiliation":[{"name":"School of Chemical Sciences, National Institute of Science Education and Research (NISER), PO- Bhimpur-Padanpur, Via-Jatni, District- Khurda, Bhubaneswar PIN 752050, India"},{"name":"Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9041-0112","authenticated-orcid":true,"given":"Akshay Kumar","family":"Sahu","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, National Institute of Science Education and Research (NISER), PO- Bhimpur-Padanpur, Via-Jatni, District- Khurda, Bhubaneswar PIN 752050, India"},{"name":"Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9474-821X","authenticated-orcid":true,"given":"Subhrakant","family":"Jena","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, National Institute of Science Education and Research (NISER), PO- Bhimpur-Padanpur, Via-Jatni, District- Khurda, Bhubaneswar PIN 752050, India"},{"name":"Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0791-2259","authenticated-orcid":true,"given":"Himansu S.","family":"Biswal","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, National Institute of Science Education and Research (NISER), PO- Bhimpur-Padanpur, Via-Jatni, District- Khurda, Bhubaneswar PIN 752050, India"},{"name":"Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India"}]}],"member":"316","published-online":{"date-parts":[[2025,4,21]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/srep22099"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/jp907747w"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/jp9817630"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP00330A"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/D2CS00133K"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.0c00289"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s41745-019-00142-8"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp00054k"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00484"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201809432"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.7b00121"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP05536E"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1039\/D2SC05431K"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1126\/science.282.5396.2000"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/cr000021b"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ja00156a032"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/a900221i"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201700742"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ct400070j"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP04412G"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.1459415"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/C6DT02854C"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.poly.2016.08.047"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1246\/bcsj.20150229"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.1004"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.febslet.2014.05.006"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0606422103"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990315)38:6<736::AID-ANIE736>3.0.CO;2-R"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/jp037487t"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1007\/s00396-015-3747-9"},{"key":"ref31\/cit31","first-page":"1","volume-title":"Adv. Protein Chem.","volume":"14","author":"Kauzmann W.","year":"1959"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5193(82)90191-6"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ja4075776"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/b305672d"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200802947"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-22241-9"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/jp711573f"},{"key":"ref38\/cit38","first-page":"191","volume-title":"Advances in Protein Chemistry","volume":"39","author":"Privalov P. L.","year":"1988"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/tf9373300229"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/j100262a010"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1414556111"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.74.6.2236"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/S0301-0104(00)00115-4"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/jp9702457"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/ja029796n"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.200700281"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1039\/D3SC01975F"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ja9060454"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1007\/s13361-011-0118-8"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/tf937330008b"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.3c00523"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c12183"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202316364"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.3390\/molecules29071591"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.4c00085"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b13345"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b02734"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.3c00347"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.4c14525"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201811171"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00594"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.202100498"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00015"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP00839H"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.3c02716"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1039\/c3dt50599e"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20495"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1063\/1.462569"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.464303"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.7b01810"},{"key":"ref73\/cit73","unstructured":"TURBOMOLE V7.2 2017, A Development of University of Karlsruhe and\nForschungszentrum Karlsruhe GmbH; University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989\u20132007."},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC05014A"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/jz5021313"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1452"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.93"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP03855E"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref80\/cit80","volume-title":"Gaussian 16, Revision E.01","author":"Frisch M. J.","year":"2016"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.8b12003"},{"key":"ref82\/cit82","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/B978-012178245-0\/50004-4","volume-title":"Guidebook on Molecular Modeling in Drug Design","author":"Gund T.","year":"1996"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/ar00109a003"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ja100936w"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1021\/ct100641a"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.7b00321"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677088"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/ja066835c"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23266"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp21812c"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1039\/D3SC02238B"},{"key":"ref94\/cit94","volume-title":"Gnuplot 4.6","author":"Williams T.","year":"2014"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/ar950135n"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1002\/iub.2282"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/jp063225q"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1021\/j100024a016"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1063\/1.1501133"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202207521"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c10884"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1039\/D0SC05899H"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1126\/science.aar4239"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00401","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00401","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,12]],"date-time":"2025-05-12T08:11:24Z","timestamp":1747037484000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c00401"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,4,21]]},"references-count":103,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2025,5,12]]}},"alternative-id":["10.1021\/acs.jcim.5c00401"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c00401","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,4,21]]}}}