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Journal of Computational Chemistry|October 14, 2004
Constant pH molecular dynamics in generalized Born implicit solventJohn Mongan, David A Case, J Andrew McCammonJournal of Computational Chemistry|November 6, 2004
The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystalsArt E Cho, John A Wendel, Nagarajan Vaidehi, et al.Journal of Computational Chemistry|July 21, 2004
Solvation forces on biomolecular structures: a comparison of explicit solvent and Poisson-Boltzmann modelsJason Wagoner, Nathan A BakerJournal of Computational Chemistry|July 21, 2004
Optimization and dynamics of protein-protein complexes using B-splinesRichard E Gillilan, Ryan H LilienJournal of Computational Chemistry|August 10, 2005
Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMCMarian Nanias, Maurizio Chinchio, Stanisław Ołdziej, et al.Journal of Computational Chemistry|June 28, 2005
Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulationsChristian Bartels, Armin Widmer, Claus EhrhardtJournal of Computational Chemistry|March 12, 2005
Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentialsL Renee Olano, Steven W RickJournal of Computational Chemistry|April 21, 2005
An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus modelsRoberto L A Haiduke, Luiz G M De Macedo, Albérico B F Da SilvaJournal of Computational Chemistry|April 21, 2005
An unbiased population-based search for the geometry optimization of Lennard-Jones clusters: 2 < or = N < or = 372Wayne PullanJournal of Computational Chemistry|April 9, 2005
Zori 1.0: a parallel quantum Monte Carlo electronic structure packageAlán Aspuru-Guzik, Romelia Salomón-Ferrer, Brian Austin, et al.Pageof 598