Showing results (861-870 of 11,259) with videos related to
Sort By:
Pageof 1,126
Journal of Chemical Theory and Computation|December 21, 2016
Procedure for Transferable Coarse-Grained Models of Aqueous PolysaccharidesJörg Sauter, Andrea GrafmüllerJournal of Chemical Theory and Computation|December 20, 2016
Noncovalent Interactions in Specific Recognition Motifs of Protein-DNA ComplexesOlga A Stasyuk, David Jakubec, Jiří Vondrášek, et al.Journal of Chemical Theory and Computation|December 22, 2016
Structural Determinants of Constitutive Activation of Gα Proteins: Transducin as a ParadigmAngelo Felline, Simona Mariani, Francesco Raimondi, et al.Journal of Chemical Theory and Computation|December 24, 2016
Efficient Constrained Density Functional Theory Implementation for Simulation of Condensed Phase Electron Transfer ReactionsNico Holmberg, Kari LaasonenJournal of Chemical Theory and Computation|January 13, 2017
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field ApproachesJing Huang, Ye Mei, Gerhard König, et al.Journal of Chemical Theory and Computation|December 30, 2016
Predicting RNA Structures via a Simple van der Waals Correction to an All-Atom Force FieldChangwon Yang, Manho Lim, Eunae Kim, et al.Journal of Chemical Theory and Computation|January 4, 2017
Assessment of Interstate Spin-Orbit Couplings from Linear Response AmplitudesFabian Dinkelbach, Martin Kleinschmidt, Christel M MarianJournal of Chemical Theory and Computation|January 5, 2017
Construction of a Spin-Component Scaled Dual-Hybrid Random Phase ApproximationPál D Mezei, Gábor I Csonka, Adrienn Ruzsinszky, et al.Journal of Chemical Theory and Computation|December 29, 2016
Polarizable Multipole-Based Force Field for Aromatic Molecules and NucleobasesChangsheng Zhang, David Bell, Matthew Harger, et al.Journal of Chemical Theory and Computation|December 29, 2016
Harmonically Assisted Methods for Computing the Free Energy of Classical Crystals by Molecular Simulation: A Comparative StudySabry G Moustafa, Andrew J Schultz, David A KofkePageof 1,126