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Biorxiv : the Preprint Server for Biology
|
July 3, 2023
Coiled-coil domains are sufficient to drive liquid-liquid phase separation of proteins in molecular models
Dominique A Ramirez, Loren E Hough, Michael R Shirts
The Journal of Chemical Physics
|
September 13, 2006
Parallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics
Guha Jayachandran, Michael R Shirts, Sanghyun Park, et al.
Journal of Computer-Aided Molecular Design
|
December 4, 2013
Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics
Kai Wang, John D Chodera, Yanzhi Yang, et al.
Physical Review Letters
|
November 13, 2003
Equilibrium free energies from nonequilibrium measurements using maximum-likelihood methods
Michael R Shirts, Eric Bair, Giles Hooker, et al.
Journal of Chemical Theory and Computation
|
August 16, 2025
Force Switching and Potential Shifting Lead to Significant Cutoff Dependence in Alchemical Free Energies
Lindsey M Whitmore, Yalda Ramezani, Sumit Sharma, et al.
Proteins
|
June 19, 2013
Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulations
Jacob I Monroe, Walid G El-Nahal, Michael R Shirts
The Journal of Physical Chemistry. B
|
November 23, 2022
Obtaining and Characterizing Stable Bicontinuous Cubic Morphologies and Their Nanochannels in Lyotropic Liquid Crystal Membranes
Subin Sahu, Nathanael S Schwindt, Benjamin J Coscia, et al.
Biorxiv : the Preprint Server for Biology
|
June 4, 2025
Nonspecific interactions can lead to liquid-liquid phase separation in coiled-coil proteins models
Dominique A Ramirez, Anastasia Shrimpton, Michael R Shirts, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Multiscale Optimization of a Truncated Newton Minimization Algorithm and Application to Proteins and Protein-Ligand Complexes
Kai Zhu, Michael R Shirts, Richard A Friesner, et al.
Journal of Chemical Theory and Computation
|
September 13, 2021
Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies
Si Zhang, David F Hahn, Michael R Shirts, et al.
Page
of 11
Search research articles
Search
Showing results (41-50 of 109) with videos related to
Sort By:
Page
of 11
Biorxiv : the Preprint Server for Biology
|
July 3, 2023
Coiled-coil domains are sufficient to drive liquid-liquid phase separation of proteins in molecular models
Dominique A Ramirez, Loren E Hough, Michael R Shirts
The Journal of Chemical Physics
|
September 13, 2006
Parallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics
Guha Jayachandran, Michael R Shirts, Sanghyun Park, et al.
Journal of Computer-Aided Molecular Design
|
December 4, 2013
Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics
Kai Wang, John D Chodera, Yanzhi Yang, et al.
Physical Review Letters
|
November 13, 2003
Equilibrium free energies from nonequilibrium measurements using maximum-likelihood methods
Michael R Shirts, Eric Bair, Giles Hooker, et al.
Journal of Chemical Theory and Computation
|
August 16, 2025
Force Switching and Potential Shifting Lead to Significant Cutoff Dependence in Alchemical Free Energies
Lindsey M Whitmore, Yalda Ramezani, Sumit Sharma, et al.
Proteins
|
June 19, 2013
Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulations
Jacob I Monroe, Walid G El-Nahal, Michael R Shirts
The Journal of Physical Chemistry. B
|
November 23, 2022
Obtaining and Characterizing Stable Bicontinuous Cubic Morphologies and Their Nanochannels in Lyotropic Liquid Crystal Membranes
Subin Sahu, Nathanael S Schwindt, Benjamin J Coscia, et al.
Biorxiv : the Preprint Server for Biology
|
June 4, 2025
Nonspecific interactions can lead to liquid-liquid phase separation in coiled-coil proteins models
Dominique A Ramirez, Anastasia Shrimpton, Michael R Shirts, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Multiscale Optimization of a Truncated Newton Minimization Algorithm and Application to Proteins and Protein-Ligand Complexes
Kai Zhu, Michael R Shirts, Richard A Friesner, et al.
Journal of Chemical Theory and Computation
|
September 13, 2021
Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies
Si Zhang, David F Hahn, Michael R Shirts, et al.
Page
of 11