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Physical Chemistry Chemical Physics : PCCP
|
May 20, 2021
Correction: Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2
Aditya G Rao, Christian Wiebeler, Saumik Sen, et al.
Journal of Computer-Aided Molecular Design
|
December 27, 2011
Alchemical prediction of hydration free energies for SAMPL
David L Mobley, Shaui Liu, David S Cerutti, 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 Model
Karl T Debiec, David S Cerutti, Lewis R Baker, et al.
Biochemistry
|
May 14, 2010
A distal point mutation in the streptavidin-biotin complex preserves structure but diminishes binding affinity: experimental evidence of electronic polarization effects?
Loren Baugh, Isolde Le Trong, David S Cerutti, et al.
Biochemistry
|
December 8, 2011
Second-contact shell mutation diminishes streptavidin-biotin binding affinity through transmitted effects on equilibrium dynamics
Loren Baugh, Isolde Le Trong, David S Cerutti, et al.
Journal of Chemical Information and Modeling
|
September 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
Tai-Sung Lee, David S Cerutti, Dan Mermelstein, et al.
The Journal of Chemical Physics
|
March 15, 2022
A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics
Anthony T Bogetti, Hannah E Piston, Jeremy M G Leung, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon Maple, et al.
Journal of Chemical Information and Modeling
|
July 29, 2025
Recent Developments in Amber Biomolecular Simulations
David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Information and Modeling
|
October 8, 2023
AmberTools
David A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
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of 3
Search research articles
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Showing results (21-30 of 30) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 30 results.
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2021
Correction: Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2
Aditya G Rao, Christian Wiebeler, Saumik Sen, et al.
Journal of Computer-Aided Molecular Design
|
December 27, 2011
Alchemical prediction of hydration free energies for SAMPL
David L Mobley, Shaui Liu, David S Cerutti, 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 Model
Karl T Debiec, David S Cerutti, Lewis R Baker, et al.
Biochemistry
|
May 14, 2010
A distal point mutation in the streptavidin-biotin complex preserves structure but diminishes binding affinity: experimental evidence of electronic polarization effects?
Loren Baugh, Isolde Le Trong, David S Cerutti, et al.
Biochemistry
|
December 8, 2011
Second-contact shell mutation diminishes streptavidin-biotin binding affinity through transmitted effects on equilibrium dynamics
Loren Baugh, Isolde Le Trong, David S Cerutti, et al.
Journal of Chemical Information and Modeling
|
September 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
Tai-Sung Lee, David S Cerutti, Dan Mermelstein, et al.
The Journal of Chemical Physics
|
March 15, 2022
A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics
Anthony T Bogetti, Hannah E Piston, Jeremy M G Leung, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon Maple, et al.
Journal of Chemical Information and Modeling
|
July 29, 2025
Recent Developments in Amber Biomolecular Simulations
David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Information and Modeling
|
October 8, 2023
AmberTools
David A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
Page
of 3