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Journal of Chemical Theory and Computation|November 14, 2013
Quantification of Drive-Response Relationships Between Residues During Protein FoldingYifei Qi, Wonpil ImJournal of Chemical Theory and Computation|April 27, 2010
Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation ShellJunjun Liu, Casey P Kelly, Alan C Goren, et al.Journal of Chemical Theory and Computation|September 23, 2009
Effects of protein subunits removal on the computed motions of partial 30S structures of the ribosomeAimin Yan, Yongmei Wang, Andrzej Kloczkowski, et al.Journal of Chemical Theory and Computation|April 1, 2010
Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentialsLuca Maragliano, Eric Vanden-Eijnden, Benoît RouxJournal of Chemical Theory and Computation|June 21, 2011
Constant pH Molecular Dynamics in Explicit Solvent with λ-DynamicsSerena Donnini, Florian Tegeler, Gerrit Groenhof, et al.Journal of Chemical Theory and Computation|February 21, 2012
Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field ApproximationZhongming Wang, Jianwei Che, Li-Tien Cheng, et al.Journal of Chemical Theory and Computation|January 14, 2012
Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric ConstantCarl Caleman, Paul J van Maaren, Minyan Hong, et al.Journal of Chemical Theory and Computation|November 26, 2011
Molecular Mechanics Investigation of an Adenine-Adenine Non-Canonical Pair Conformational ChangeKeith P Van Nostrand, Scott D Kennedy, Douglas H Turner, et al.Journal of Chemical Theory and Computation|November 29, 2011
Parallel Generalized Born Implicit Solvent Calculations with NAMDDavid E Tanner, Kwok-Yan Chan, James C Phillips, et al.Journal of Chemical Theory and Computation|November 30, 2011
Multi-Site λ-dynamics for simulated Structure-Activity Relationship studiesJennifer L Knight, Charles L BrooksPageof 1,126