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Journal of Computational Chemistry
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January 21, 2016
Parallelization and improvements of the generalized born model with a simple sWitching function for modern graphics processors
Evan J Arthur, Charles L Brooks
Journal of Computational Chemistry
|
July 14, 2016
Efficient implementation of constant pH molecular dynamics on modern graphics processors
Evan J Arthur, Charles L Brooks
Proteins
|
October 18, 2011
Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics
Evan J Arthur, Joseph D Yesselman, Charles L Brooks
The Journal of Physical Chemistry. B
|
May 5, 2015
Ultrafast 2D-IR and simulation investigations of preferential solvation and cosolvent exchange dynamics
Josef A Dunbar, Evan J Arthur, Aaron M White, et al.
Journal of the American Chemical Society
|
December 18, 2013
Crowding induced collective hydration of biological macromolecules over extended distances
John T King, Evan J Arthur, Charles L Brooks, et al.
The Journal of Physical Chemistry. B
|
April 26, 2012
Site-specific hydration dynamics of globular proteins and the role of constrained water in solvent exchange with amphiphilic cosolvents
John T King, Evan J Arthur, Charles L Brooks, et al.
The Journal of Physical Chemistry. B
|
May 15, 2014
Heterogeneous preferential solvation of water and trifluoroethanol in homologous lysozymes
Evan J Arthur, John T King, Kevin J Kubarych, et al.
Journal of Chemical Theory and Computation
|
August 6, 2019
Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo
James Shee, Evan J Arthur, Shiwei Zhang, et al.
Journal of Chemical Theory and Computation
|
June 14, 2018
Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units
James Shee, Evan J Arthur, Shiwei Zhang, et al.
Journal of Chemical Theory and Computation
|
March 19, 2019
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
James Shee, Benjamin Rudshteyn, Evan J Arthur, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
January 21, 2016
Parallelization and improvements of the generalized born model with a simple sWitching function for modern graphics processors
Evan J Arthur, Charles L Brooks
Journal of Computational Chemistry
|
July 14, 2016
Efficient implementation of constant pH molecular dynamics on modern graphics processors
Evan J Arthur, Charles L Brooks
Proteins
|
October 18, 2011
Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics
Evan J Arthur, Joseph D Yesselman, Charles L Brooks
The Journal of Physical Chemistry. B
|
May 5, 2015
Ultrafast 2D-IR and simulation investigations of preferential solvation and cosolvent exchange dynamics
Josef A Dunbar, Evan J Arthur, Aaron M White, et al.
Journal of the American Chemical Society
|
December 18, 2013
Crowding induced collective hydration of biological macromolecules over extended distances
John T King, Evan J Arthur, Charles L Brooks, et al.
The Journal of Physical Chemistry. B
|
April 26, 2012
Site-specific hydration dynamics of globular proteins and the role of constrained water in solvent exchange with amphiphilic cosolvents
John T King, Evan J Arthur, Charles L Brooks, et al.
The Journal of Physical Chemistry. B
|
May 15, 2014
Heterogeneous preferential solvation of water and trifluoroethanol in homologous lysozymes
Evan J Arthur, John T King, Kevin J Kubarych, et al.
Journal of Chemical Theory and Computation
|
August 6, 2019
Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo
James Shee, Evan J Arthur, Shiwei Zhang, et al.
Journal of Chemical Theory and Computation
|
June 14, 2018
Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units
James Shee, Evan J Arthur, Shiwei Zhang, et al.
Journal of Chemical Theory and Computation
|
March 19, 2019
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
James Shee, Benjamin Rudshteyn, Evan J Arthur, et al.
Page
of 2