{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T12:40:47Z","timestamp":1740141647611,"version":"3.37.3"},"reference-count":33,"publisher":"American Chemical Society (ACS)","issue":"5","funder":[{"DOI":"10.13039\/501100000781","name":"European Research Council","doi-asserted-by":"publisher","award":["228076"],"award-info":[{"award-number":["228076"]}],"id":[{"id":"10.13039\/501100000781","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001711","name":"Schweizerische Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung","doi-asserted-by":"publisher","award":["200020-137827"],"award-info":[{"award-number":["200020-137827"]}],"id":[{"id":"10.13039\/501100001711","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2015,5,12]]},"DOI":"10.1021\/acs.jctc.5b00210","type":"journal-article","created":{"date-parts":[[2015,4,7]],"date-time":"2015-04-07T20:39:08Z","timestamp":1428439148000},"page":"1983-1986","source":"Crossref","is-referenced-by-count":9,"title":["Effects of Polarizable Solvent Models upon the Relative Stability of an \u03b1-Helical and a \u03b2-Hairpin Structure of an Alanine Decapeptide"],"prefix":"10.1021","volume":"11","author":[{"given":"Zhixiong","family":"Lin","sequence":"first","affiliation":[{"name":"Laboratory of Physical\rChemistry, Swiss Federal Institute of Technology, ETH, 8093 Z\u00fcrich, Z\u00fcrich, Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wilfred F.","family":"van Gunsteren","sequence":"additional","affiliation":[{"name":"Laboratory of Physical\rChemistry, Swiss Federal Institute of Technology, ETH, 8093 Z\u00fcrich, Z\u00fcrich, Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2015,4,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","volume":"117","author":"Cornell W. D.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","volume":"118","author":"Jorgensen W. L.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"3586","DOI":"10.1021\/jp973084f","volume":"102","author":"MacKerell A. D.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"3705","DOI":"10.1021\/ct300156h","volume":"8","author":"Reif M. M.","year":"2012","journal-title":"J. Chem. Theory Comput."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2034","DOI":"10.1021\/ct700127w","volume":"3","author":"Warshel A.","year":"2007","journal-title":"J. Chem. Theory Comput."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"2549","DOI":"10.1021\/jp910674d","volume":"114","author":"Ponder J. W.","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"5430","DOI":"10.1021\/ct400781b","volume":"9","author":"Lopes P. E. M.","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"5185","DOI":"10.1063\/1.1598191","volume":"119","author":"Lamoureux G.","year":"2003","journal-title":"J. Chem. Phys."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1063\/1.1523915","volume":"118","author":"Yu H. B.","year":"2003","journal-title":"J. Chem. Phys."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"5933","DOI":"10.1021\/jp027815+","volume":"107","author":"Ren P. Y.","year":"2003","journal-title":"J. Phys. Chem. B"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1494","DOI":"10.1002\/jcc.20429","volume":"27","author":"Yu H. B.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1749","DOI":"10.1080\/00268976.2010.489527","volume":"108","author":"Lin Z. X.","year":"2010","journal-title":"Mol. Phys."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1080\/00268976.2010.533208","volume":"109","author":"Kunz A. P. E.","year":"2011","journal-title":"Mol. Phys."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"12830","DOI":"10.1021\/jp026526i","volume":"106","author":"Soto P.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1080\/00268976.2010.532163","volume":"109","author":"Lin Z. X.","year":"2011","journal-title":"Mol. Phys."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/jcc.20317","volume":"27","author":"Yang Z.-Z.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1610","DOI":"10.1002\/prot.24319","volume":"81","author":"Lazim R.","year":"2013","journal-title":"Proteins; Struct., Funct., Bioinf."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2195","DOI":"10.1007\/s00894-014-2195-7","volume":"20","author":"Duan L. L.","year":"2014","journal-title":"J. Mol. Model."},{"doi-asserted-by":"crossref","unstructured":"IUPAP, Symbols, Units and Nomenclature in Physics;Physica:Amsterdam, 1978; Vol.93A, pp1\u201360.","key":"ref19\/cit19","DOI":"10.1016\/0378-4371(78)90209-1"},{"volume-title":"Quantities, Units and Symbols in Physical Chemistry","year":"1988","author":"IUPAC","key":"ref20\/cit20"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"843","DOI":"10.1007\/s00249-011-0700-9","volume":"40","author":"Schmid N.","year":"2011","journal-title":"Eur. Biophys. J."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","DOI":"10.1007\/978-94-015-7658-1_21","volume-title":"Interaction models for water in relation to protein hydration","author":"Berendsen H. J. C.","year":"1981"},{"volume-title":"Biomolecular Simulation: The GROMOS96 Manual and User Guide","year":"1996","author":"van Gunsteren W. F.","key":"ref23\/cit23"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"10450","DOI":"10.1063\/1.481680","volume":"112","author":"Walser R.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1080\/00268979400101331","volume":"83","author":"Tironi I. G.","year":"1994","journal-title":"Mol. Phys."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/08927029608022351","volume":"18","author":"Tironi I. G.","year":"1996","journal-title":"Mol. Simul."},{"unstructured":"van Gunsteren, W. F.http:\/\/www.GROMOS.net(accessed Apr 7, 2015).","key":"ref27\/cit27"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"6425","DOI":"10.1021\/jp0706477","volume":"111","author":"Geerke D. P.","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2761","DOI":"10.1080\/00268976.2014.910317","volume":"112","author":"Bachmann S. J.","year":"2014","journal-title":"Mol. Phys."},{"volume-title":"Computer Simulation of Liquids","year":"1987","author":"Allen M. P.","key":"ref30\/cit30"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2290","DOI":"10.1002\/jcc.21818","volume":"32","author":"Lin Z. X.","year":"2011","journal-title":"J. Comput. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1398","DOI":"10.1002\/jcc.23276","volume":"34","author":"Garate J. A.","year":"2013","journal-title":"J. Comput. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1272","DOI":"10.1007\/s00214-012-1272-1","volume":"131","author":"Lai B.","year":"2012","journal-title":"Theor. Chem. Acc."}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.5b00210","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T00:59:49Z","timestamp":1681433989000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.5b00210"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,4,13]]},"references-count":33,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2015,5,12]]}},"alternative-id":["10.1021\/acs.jctc.5b00210"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.5b00210","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"type":"print","value":"1549-9618"},{"type":"electronic","value":"1549-9626"}],"subject":[],"published":{"date-parts":[[2015,4,13]]}}}