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David S Cerutti

Showing results (11-20 of 30) with videos related to

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Journal of the American Chemical Society|May 2, 2013
Peptide crystal simulations reveal hidden dynamicsPawel A Janowski, David S Cerutti, James Holton, et al.
The Journal of Physical Chemistry. B|April 21, 2009
Dynamics of the streptavidin-biotin complex in solution and in its crystal lattice: distinct behavior revealed by molecular simulationsDavid S Cerutti, Isolde Le Trong, Ronald E Stenkamp, et al.
Biochemistry|October 28, 2008
Simulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complexDavid S Cerutti, Isolde Le Trong, Ronald E Stenkamp, et al.
Journal of Chemical Theory and Computation|February 23, 2010
Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatilityDavid S Cerutti, Robert E Duke, Thomas A Darden, et al.
Physical Chemistry Chemical Physics : PCCP|April 20, 2021
Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2Aditya G Rao, Christian Wiebeler, Saumik Sen, et al.
Journal of Chemical Theory and Computation|January 31, 2009
Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen DynamicsDavid S Cerutti, Robert Duke, Lydia Freddolino, 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.
Journal of Chemical Theory and Computation|July 18, 2019
Fast Implementation of the Nudged Elastic Band Method in AMBERDelaram Ghoreishi, David S Cerutti, Zachary Fallon, 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.
Pageof 3

Showing results (11-20 of 30) with videos related to

Sort By:
Pageof 3
Journal of the American Chemical Society|May 2, 2013
Peptide crystal simulations reveal hidden dynamicsPawel A Janowski, David S Cerutti, James Holton, et al.
The Journal of Physical Chemistry. B|April 21, 2009
Dynamics of the streptavidin-biotin complex in solution and in its crystal lattice: distinct behavior revealed by molecular simulationsDavid S Cerutti, Isolde Le Trong, Ronald E Stenkamp, et al.
Biochemistry|October 28, 2008
Simulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complexDavid S Cerutti, Isolde Le Trong, Ronald E Stenkamp, et al.
Journal of Chemical Theory and Computation|February 23, 2010
Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatilityDavid S Cerutti, Robert E Duke, Thomas A Darden, et al.
Physical Chemistry Chemical Physics : PCCP|April 20, 2021
Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2Aditya G Rao, Christian Wiebeler, Saumik Sen, et al.
Journal of Chemical Theory and Computation|January 31, 2009
Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen DynamicsDavid S Cerutti, Robert Duke, Lydia Freddolino, 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.
Journal of Chemical Theory and Computation|July 18, 2019
Fast Implementation of the Nudged Elastic Band Method in AMBERDelaram Ghoreishi, David S Cerutti, Zachary Fallon, 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.
Pageof 3