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Journal of Chemical Theory and Computation|December 2, 2015
Is Alanine Dipeptide a Good Model for Representing the Torsional Preferences of Protein Backbones?Michael FeigJournal of Chemical Theory and Computation|December 3, 2015
The Origin of Layer Structure Artifacts in Simulations of Liquid WaterDavid van der Spoel, Paul J van MaarenJournal of Chemical Theory and Computation|December 3, 2015
Preaveraged Hydrodynamic Interaction Revisited via Boundary Element ComputationsSergio R Aragon, David K HahnJournal of Chemical Theory and Computation|December 3, 2015
Exploring the Mechanisms of Reactions in Solution from Transition Path Sampling Molecular Dynamics SimulationsDirk ZahnJournal of Chemical Theory and Computation|December 3, 2015
Investigation of Salt Bridge Stability in a Generalized Born Solvent ModelRaphaël Geney, Melinda Layten, Roberto Gomperts, et al.Journal of Chemical Theory and Computation|December 3, 2015
All-Atom Calculation of the Normal Modes of Bacteriorhodopsin Using a Sliding Block Iterative Diagonalization MethodAlexey L Kaledin, Martina Kaledin, Joel M BowmanJournal of Chemical Theory and Computation|December 3, 2015
Comparison of Protocols for Calculation of Peptide Structures from Experimental NMR DataMarc Fuhrmans, Alexander G Milbradt, Christian RennerJournal of Chemical Theory and Computation|December 3, 2015
Path Integral Simulations of Proton Transfer Reactions in Aqueous Solution Using Combined QM/MM PotentialsDan Thomas Major, Mireia Garcia-Viloca, Jiali GaoJournal of Chemical Theory and Computation|December 3, 2015
Essential Dynamics: A Tool for Efficient Trajectory Compression and ManagementTim Meyer, Carles Ferrer-Costa, Alberto Pérez, et al.Journal of Chemical Theory and Computation|December 3, 2015
Evaluation of Two-Center, Two-Electron IntegralsAlejandro Ferrón, Pablo SerraPageof 1,126