{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,14]],"date-time":"2026-05-14T02:17:19Z","timestamp":1778725039527,"version":"3.51.4"},"reference-count":71,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":6987,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Comput. Chem."],"published-print":{"date-parts":[[1996,7,15]]},"DOI":"10.1002\/(sici)1096-987x(19960715)17:9<1112::aid-jcc4>3.0.co;2-v","type":"journal-article","created":{"date-parts":[[2002,9,10]],"date-time":"2002-09-10T22:41:36Z","timestamp":1031697696000},"page":"1112-1131","source":"Crossref","is-referenced-by-count":36,"title":["Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions"],"prefix":"10.1002","volume":"17","author":[{"given":"Christophe","family":"Chipot","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Peter A.","family":"Kollman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David A.","family":"Pearlman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB1","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1039\/fs9821700055","volume":"17","author":"Postma","year":"1982","journal-title":"Faraday Symp. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB2","doi-asserted-by":"crossref","first-page":"564","DOI":"10.1126\/science.3576184","volume":"236","author":"Bash","year":"1987","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB3","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1146\/annurev.bb.18.060189.002243","volume":"18","author":"Beveridge","year":"1989","journal-title":"Annu. Rev. Biophys. Biophys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB4","first-page":"60","volume-title":"Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications","author":"Jorgensen","year":"1989","unstructured":"In Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, and Eds., Escom, The Netherlands, 1989, p. 60."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB5","doi-asserted-by":"crossref","first-page":"184","DOI":"10.1021\/ar00161a004","volume":"22","author":"Jorgensen","year":"1989","journal-title":"Acc. Chem. Res."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB6","first-page":"1","volume-title":"Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications","author":"Beveridge","year":"1989","unstructured":"and In Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, and Eds., Escom, The Netherlands, 1989, p. 1."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB7","first-page":"101","volume-title":"Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications","author":"Pearlman","year":"1989","unstructured":"and In Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, and Eds., Escom, The Netherlands, 1989, p. 101."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB8","doi-asserted-by":"crossref","first-page":"992","DOI":"10.1002\/anie.199009921","volume":"29","author":"Van Gunsteren","year":"1990","journal-title":"Angew. Chem. Int. Ed. Engl."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB9","doi-asserted-by":"crossref","first-page":"4838","DOI":"10.1021\/j100165a045","volume":"95","author":"Wood","year":"1991","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB10","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1016\/0959-440X(91)90061-W","volume":"1","author":"McCammon","year":"1991","journal-title":"Curr. Opin. Struct. Biol."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB11","volume-title":"Computer Modeling of Chemical Reactions in Enzymes and Solutions","author":"Warshel","year":"1991","unstructured":"Computer Modeling of Chemical Reactions in Enzymes and Solutions, Wiley-Interscience, New York, 1991."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB12","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1146\/annurev.pc.43.100192.002203","volume":"43","author":"Straatsma","year":"1992","journal-title":"Annu. Rev. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB13","doi-asserted-by":"crossref","first-page":"2395","DOI":"10.1021\/cr00023a004","volume":"93","author":"Kollman","year":"1993","journal-title":"Chem. Rev."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB14","doi-asserted-by":"crossref","first-page":"4532","DOI":"10.1063\/1.460608","volume":"94","author":"Pearlman","year":"1991","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB15","doi-asserted-by":"crossref","first-page":"1175","DOI":"10.1063\/1.461148","volume":"95","author":"Straatsma","year":"1991","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB16","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1002\/jcc.540120218","volume":"12","author":"Mitchell","year":"1991","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB17","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/08927029108022136","volume":"6","author":"Mazor","year":"1991","journal-title":"Mol. Simul."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB18","first-page":"2617","volume":"88","author":"Fleischman","year":"1991","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB19","doi-asserted-by":"crossref","first-page":"8946","DOI":"10.1063\/1.464453","volume":"98","author":"Pearlman","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB20","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1002\/jcc.540150112","volume":"15","author":"Pearlman","year":"1994","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB21","doi-asserted-by":"crossref","first-page":"1487","DOI":"10.1021\/j100056a020","volume":"98","author":"Pearlman","year":"1994","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB22","doi-asserted-by":"crossref","first-page":"11362","DOI":"10.1021\/j100095a019","volume":"98","author":"Chipot","year":"1994","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB23","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1146\/annurev.bi.52.070183.001403","volume":"52","author":"Karplus","year":"1983","journal-title":"Annu. Rev. Biochem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB24","doi-asserted-by":"crossref","first-page":"5304","DOI":"10.1021\/j150644a002","volume":"87","author":"Jorgensen","year":"1983","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB25","doi-asserted-by":"crossref","first-page":"1420","DOI":"10.1063\/1.1740409","volume":"22","author":"Zwanzig","year":"1954","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB26","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1111\/j.1749-6632.1986.tb20933.x","volume":"482","author":"Mezei","year":"1986","journal-title":"Ann. NY Acad. Sci. USA"},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB27","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1063\/1.432264","volume":"64","author":"Mruzik","year":"1976","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB28","doi-asserted-by":"crossref","first-page":"3255","DOI":"10.1021\/ja00478a070","volume":"100","author":"Mezei","year":"1978","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB29","doi-asserted-by":"crossref","first-page":"6670","DOI":"10.1021\/j100170a054","volume":"95","author":"Wood","year":"1991","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB30","doi-asserted-by":"crossref","first-page":"8661","DOI":"10.1021\/bi00151a037","volume":"31","author":"Simonson","year":"1992","journal-title":"Biochemistry"},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB31","doi-asserted-by":"crossref","first-page":"1240","DOI":"10.1002\/jcc.540141013","volume":"14","author":"Carlson","year":"1993","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB32","doi-asserted-by":"crossref","first-page":"7953","DOI":"10.1063\/1.468222","volume":"101","author":"Chipot","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB33","doi-asserted-by":"crossref","first-page":"245","DOI":"10.1016\/0021-9991(76)90078-4","volume":"22","author":"Bennett","year":"1976","journal-title":"J. Comp. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB34","doi-asserted-by":"crossref","first-page":"3050","DOI":"10.1063\/1.449208","volume":"83","author":"Jorgensen","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB35","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1080\/00268978600100071","volume":"57","author":"Straatsma","year":"1986","journal-title":"Mol. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB36","doi-asserted-by":"crossref","first-page":"472","DOI":"10.1016\/0009-2614(87)80646-2","volume":"142","author":"Tobias","year":"1987","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB37","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB38","volume-title":"AMBER 4.1","author":"Pearlman","year":"1994","unstructured":"and AMBER 4.1, University of California, San Francisco (UCSF), San Francisco, 1994. The new version of GIBBS employed in this work includes, among others, the possibility of carrying out PMF calculations using the TI method."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB39","doi-asserted-by":"crossref","first-page":"765","DOI":"10.1021\/ja00315a051","volume":"106","author":"Weiner","year":"1984","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB40","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1002\/jcc.540070216","volume":"7","author":"Weiner","year":"1986","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB41","doi-asserted-by":"crossref","first-page":"9620","DOI":"10.1021\/ja00074a030","volume":"115","author":"Cornell","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB42","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","volume":"117","author":"Cornell","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB43","doi-asserted-by":"crossref","first-page":"5319","DOI":"10.1021\/ja00824a004","volume":"96","author":"Hagler","year":"1974","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB44","doi-asserted-by":"crossref","first-page":"304","DOI":"10.1002\/jcc.540020312","volume":"2","author":"Cox","year":"1981","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB45","series-title":"QCPE No. 655","volume-title":"GRID Version 3.0: Point Multipoles Derived from Molecular Electrostatic Properties","author":"Chipot","year":"1994","unstructured":"and GRID Version 3.0: Point Multipoles Derived from Molecular Electrostatic Properties, QCPE No. 655, Indiana University, 1994."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB46","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/0009-2614(72)80259-8","volume":"16","author":"Hariharan","year":"1972","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB47","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB48","doi-asserted-by":"crossref","first-page":"2384","DOI":"10.1063\/1.439486","volume":"72","author":"Andersen","year":"1980","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB49","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J. Comput. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB50","doi-asserted-by":"crossref","first-page":"1311","DOI":"10.1080\/00268977700102571","volume":"34","author":"Van Gunsteren","year":"1977","journal-title":"Mol. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB51","doi-asserted-by":"crossref","first-page":"5115","DOI":"10.1063\/1.455654","volume":"89","author":"Tobias","year":"1988","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB52","doi-asserted-by":"crossref","first-page":"2975","DOI":"10.1063\/1.438701","volume":"71","author":"Pangali","year":"1979","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB53","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1039\/FS9821700079","volume":"17","author":"Ravishanker","year":"1982","journal-title":"Faraday Symp. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB54","doi-asserted-by":"crossref","first-page":"795","DOI":"10.1021\/j100277a019","volume":"90","author":"Watanabe","year":"1986","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB55","doi-asserted-by":"crossref","first-page":"3742","DOI":"10.1063\/1.454895","volume":"89","author":"Jorgensen","year":"1988","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB56","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1016\/0009-2614(91)87089-T","volume":"179","author":"Wang","year":"1991","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB57","doi-asserted-by":"crossref","first-page":"3683","DOI":"10.1063\/1.435308","volume":"67","author":"Pratt","year":"1977","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB58","doi-asserted-by":"crossref","first-page":"3430","DOI":"10.1063\/1.440540","volume":"73","author":"Pratt","year":"1980","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB59","doi-asserted-by":"crossref","first-page":"3434","DOI":"10.1063\/1.440541","volume":"73","author":"Pratt","year":"1980","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB60","doi-asserted-by":"crossref","first-page":"2016","DOI":"10.1063\/1.447824","volume":"81","author":"Ben-Naim","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB61","doi-asserted-by":"crossref","first-page":"7831","DOI":"10.1063\/1.457251","volume":"91","author":"Pearlman","year":"1989","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB62","doi-asserted-by":"crossref","first-page":"701","DOI":"10.1080\/00268978400101481","volume":"52","author":"Smith","year":"1984","journal-title":"Mol. Phys."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB63","doi-asserted-by":"crossref","first-page":"4366","DOI":"10.1021\/ja00037a051","volume":"114","author":"Linse","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB64","doi-asserted-by":"crossref","first-page":"246","DOI":"10.1021\/j100466a026","volume":"83","author":"Tucker","year":"1979","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB65","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1021\/ed046p12","volume":"46","author":"Prue","year":"1969","journal-title":"J. Chem. Ed."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB66","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/S0006-3495(82)84455-X","volume":"40","author":"Shoup","year":"1982","journal-title":"Biophys. J."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB67","doi-asserted-by":"crossref","first-page":"4768","DOI":"10.1021\/ja00168a022","volume":"112","author":"Jorgensen","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB68","doi-asserted-by":"crossref","first-page":"8793","DOI":"10.1021\/ja00072a037","volume":"115","author":"Linse","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB69","doi-asserted-by":"crossref","first-page":"587","DOI":"10.1021\/j100443a005","volume":"84","author":"Rossky","year":"1980","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB70","first-page":"27","volume-title":"Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications","author":"Van Gunsteren","year":"1989","unstructured":"In Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, and Eds., Escom, The Netherlands, 1989, p. 27."},{"key":"10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V-BIB71","volume-title":"AMBER 4.0","author":"Pearlman","year":"1991","unstructured":"and AMBER 4.0, University of California, San Francisco (UCSF), San Francisco, 1991."}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F(SICI)1096-987X(19960715)17:9%3C1112::AID-JCC4%3E3.0.CO;2-V","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(19960715)17:9%3C1112::AID-JCC4%3E3.0.CO;2-V","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T09:41:30Z","timestamp":1625132490000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,7,15]]},"references-count":71,"journal-issue":{"issue":"9","published-print":{"date-parts":[[1996,7,15]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(19960715)17:9<1112::aid-jcc4>3.0.co;2-v","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1996,7,15]]}}}