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Wiley Interdisciplinary Reviews. Computational Molecular Science|October 31, 2019
Molecular Dynamics Simulations of Macromolecular CrystalsDavid S Cerutti, David A CaseJournal of Chemical Theory and Computation|November 1, 2011
Multi-Level Ewald: A hybrid multigrid / Fast Fourier Transform approach to the electrostatic particle-mesh problemDavid S Cerutti, David A CaseThe Journal of Physical Chemistry. B|September 24, 2010
Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water modelsDavid S Cerutti, Lydia Freddolino, Robert E Duke, et al.Journal of the American Chemical Society|May 2, 2013
Peptide crystal simulations reveal hidden dynamicsPawel A Janowski, David S Cerutti, James Holton, et al.Journal of Chemical Theory and Computation|October 21, 2014
ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of ProteinsDavid S Cerutti, William C Swope, Julia E Rice, et al.The Journal of Chemical Physics|November 4, 2017
Links between the charge model and bonded parameter force constants in biomolecular force fieldsDavid S Cerutti, Karl T Debiec, David A Case, et al.The Journal of Physical Chemistry. B|February 6, 2013
Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarizationDavid S Cerutti, Julia E Rice, William C Swope, et al.Journal of Chemical Theory and Computation|July 12, 2016
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelKarl T Debiec, David S Cerutti, Lewis R Baker, et al.Methods in Enzymology|September 25, 2023
MD simulations of macromolecular crystals: Implications for the analysis of Bragg and diffuse scatteringDavid A CaseAccounts of Chemical Research|June 19, 2002
Molecular dynamics and NMR spin relaxation in proteinsDavid A CasePageof 21