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Journal of Computational Chemistry|December 12, 2007
The implementation of a fast and accurate QM/MM potential method in AmberRoss C Walker, Michael F Crowley, David A CaseJournal of Computational Chemistry|December 13, 2007
Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged moleculesNinad V Prabhu, Manoranjan Panda, Qingyi Yang, et al.Journal of Computational Chemistry|December 13, 2007
A Gibbs free energy correlation for automated docking of carbohydratesAnthony D Hill, Peter J ReillyJournal of Computational Chemistry|December 13, 2007
Theoretical study on the OH + CH3NHCOOCH3 reactionHui Zhang, Gui-Ling Zhang, Jing-Yao Liu, et al.Journal of Computational Chemistry|December 13, 2007
Time-averaged predictions of folded and misfolded peptides using a reduced physicochemical modelOliver J Clarke, Martin J ParkerJournal of Computational Chemistry|December 13, 2007
Parameterization of Ca+2-protein interactions for molecular dynamics simulationsElad Project, Esther Nachliel, Menachem GutmanJournal of Computational Chemistry|February 6, 2014
A multilayered representation, quantum mechanical and molecular mechanics study of the CH3 F + OH(-) reaction in waterJie Chen, Yulong Xu, Dunyou WangJournal of Computational Chemistry|May 29, 2008
Kick: constraining a stochastic search procedure with molecular fragmentsMatthew A Addicoat, Gregory F MethaJournal of Computational Chemistry|May 29, 2008
ABSINTH: a new continuum solvation model for simulations of polypeptides in aqueous solutionsAndreas Vitalis, Rohit V PappuJournal of Computational Chemistry|January 23, 2025
Simplified Multireference Coupled-Cluster Methods: Hybrid Approaches With Averaged Coupled Pair TheoriesAlexander Waigum, Sarah Suchaneck, Andreas KöhnPageof 598