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Journal of Computational Chemistry|October 14, 2010
Improving the Wang-Landau algorithm for polymers and proteinsAdam D Swetnam, Michael P AllenJournal of Computational Chemistry|October 14, 2010
Using correlated parameters for improved ranking of protein-protein docking decoysPralay Mitra, Debnath PalJournal of Computational Chemistry|September 24, 2010
Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processorsBrad A Bauer, Joseph E Davis, Michela Taufer, et al.Journal of Computational Chemistry|September 17, 2010
Thermochemical stabilities, electronic structures, and optical properties of C56X10 (X = H, F, and Cl) fullerene compoundsShu-Wei Tang, Jing-Dong Feng, Yong-Qing Qiu, et al.Journal of Computational Chemistry|September 3, 2010
Can we trust docking results? Evaluation of seven commonly used programs on PDBbind databaseDariusz Plewczynski, Michał Łaźniewski, Rafał Augustyniak, et al.Journal of Computational Chemistry|July 16, 2009
Theoretical study on nonlinear optical properties of the Li(+)[calix[4]pyrrole]Li(-)dimer, trimer and its polymer with diffuse excess electronsGuang Tao Yu, Wei Chen, Feng Long Gu, et al.Journal of Computational Chemistry|July 16, 2009
Graph-theoretical identification of dissociation pathways on free energy landscapes of biomolecular interactionLing Wang, Boris Stumm, Volkhard HelmsJournal of Computational Chemistry|May 30, 2009
A stationary-wave model of enzyme catalysisCarlo CanepaJournal of Computational Chemistry|May 30, 2009
Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics studyS Sikander Azam, Len Herald V Lim, Thomas S Hofer, et al.Journal of Computational Chemistry|June 5, 2009
Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and functionWonpil Im, Jinhyuk Lee, Taehoon Kim, et al.Pageof 598