Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein–Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide
Zwier, Matthew C, Pratt, Adam J, Adelman, Joshua L, Kaus, Joseph W, Zuckerman, Daniel M, Chong, Lillian T
Published in The journal of physical chemistry letters (01.09.2016)
Published in The journal of physical chemistry letters (01.09.2016)
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Journal Article
WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis
Zwier, Matthew C, Adelman, Joshua L, Kaus, Joseph W, Pratt, Adam J, Wong, Kim F, Rego, Nicholas B, Suárez, Ernesto, Lettieri, Steven, Wang, David W, Grabe, Michael, Zuckerman, Daniel M, Chong, Lillian T
Published in Journal of chemical theory and computation (10.02.2015)
Published in Journal of chemical theory and computation (10.02.2015)
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Journal Article
Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories
Suárez, Ernesto, Lettieri, Steven, Zwier, Matthew C, Stringer, Carsen A, Subramanian, Sundar Raman, Chong, Lillian T, Zuckerman, Daniel M
Published in Journal of chemical theory and computation (08.07.2014)
Published in Journal of chemical theory and computation (08.07.2014)
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Journal Article
Simulations of the Alternating Access Mechanism of the Sodium Symporter Mhp1
Adelman, Joshua L., Dale, Amy L., Zwier, Matthew C., Bhatt, Divesh, Chong, Lillian T., Zuckerman, Daniel M., Grabe, Michael
Published in Biophysical journal (16.11.2011)
Published in Biophysical journal (16.11.2011)
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Journal Article
Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na+/Cl−, Methane/Benzene, and K+/18-Crown-6 Ether
Zwier, Matthew C, Kaus, Joseph W, Chong, Lillian T
Published in Journal of chemical theory and computation (12.04.2011)
Published in Journal of chemical theory and computation (12.04.2011)
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Journal Article
WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications
Russo, John D, Zhang, She, Leung, Jeremy M G, Bogetti, Anthony T, Thompson, Jeff P, DeGrave, Alex J, Torrillo, Paul A, Pratt, A J, Wong, Kim F, Xia, Junchao, Copperman, Jeremy, Adelman, Joshua L, Zwier, Matthew C, LeBard, David N, Zuckerman, Daniel M, Chong, Lillian T
Published in Journal of chemical theory and computation (08.02.2022)
Published in Journal of chemical theory and computation (08.02.2022)
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Journal Article
Fretting about FRET: Correlation between κ and R
VanBeek, Darren B., Zwier, Matthew C., Shorb, Justin M., Krueger, Brent P.
Published in Biophysical journal (15.06.2007)
Published in Biophysical journal (15.06.2007)
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Journal Article
Direct Observations of Conformational Distributions of Intrinsically Disordered p53 Peptides Using UV Raman and Explicit Solvent Simulations
Xiong, Kan, Zwier, Matthew C, Myshakina, Nataliya S, Burger, Virginia M, Asher, Sanford A, Chong, Lillian T
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.09.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.09.2011)
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Journal Article
A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0]
Bogetti, Anthony T, Mostofian, Barmak, Dickson, Alex, Pratt, A J, Saglam, Ali S, Harrison, Page O, Adelman, Joshua L, Dudek, Max, Torrillo, Paul A, DeGrave, Alex J, Adhikari, Upendra, Zwier, Matthew C, Zuckerman, Daniel M, Chong, Lillian T
Published in Living journal of computational molecular science (2019)
Published in Living journal of computational molecular science (2019)
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Journal Article
Insight into the Alternating Access Mechanism of the Sodium Symporter Mhp1 using Path Sampling Simulations
Adelman, Joshua L., Dale, Amy L., Zwier, Matthew C., Bhatt, Divesh, Chong, Lillian T., Zuckerman, Daniel M., Grabe, Michael
Published in Biophysical journal (31.01.2012)
Published in Biophysical journal (31.01.2012)
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Journal Article
Fretting about FRET: Correlation between [kappa] and R
VanBeek, Darren B, Zwier, Matthew C, Shorb, Justin M, Krueger, Brent P
Published in Biophysical journal (15.06.2007)
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Published in Biophysical journal (15.06.2007)
Journal Article
A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]
Bogetti, Anthony T, Leung, Jeremy M G, Russo, John D, Zhang, She, Thompson, Jeff P, Saglam, Ali S, Ray, Dhiman, Mostofian, Barmak, Pratt, A J, Abraham, Rhea C, Harrison, Page O, Dudek, Max, Torrillo, Paul A, DeGrave, Alex J, Adhikari, Upendra, Faeder, James R, Andricioaei, Ioan, Adelman, Joshua L, Zwier, Matthew C, LeBard, David N, Zuckerman, Daniel M, Chong, Lillian T
Published in Living journal of computational molecular science (2023)
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Published in Living journal of computational molecular science (2023)
Journal Article
Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
Suarez, Ernesto, Lettieri, Steven, Zwier, Matthew C, Stringer, Carsen A, Subramanian, Sundar Raman, Chong, Lillian T, Zuckerman, Daniel M
Year of Publication 10.10.2012
Year of Publication 10.10.2012
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Journal Article
Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
Suarez, Ernesto, Lettieri, Steven, Zwier, Matthew C, Stringer, Carsen A, Sundar Raman Subramanian, Chong, Lillian T, Zuckerman, Daniel M
Published in arXiv.org (05.07.2014)
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Published in arXiv.org (05.07.2014)
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