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Journal of Chemical Theory and Computation
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November 30, 2017
Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and Proteins
Rory M Donovan-Maiye, Christopher J Langmead, Daniel M Zuckerman
Protein Science : a Publication of the Protein Society
|
July 2, 2015
Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses
Ernesto Suárez, Adam J Pratt, Lillian T Chong, et al.
Biorxiv : the Preprint Server for Biology
|
July 17, 2025
Improving parameter inference by resolving Bayesian prior ambiguity via multi-dataset analysis: Application to isothermal titration calorimetry
Lisa Otten, Douglas R Walker, Elisar J Barbar, et al.
Biorxiv : the Preprint Server for Biology
|
April 10, 2026
Rectifying AI-generated protein structure ensembles for equilibrium using physics-based computations
Lisa Otten, Jeremy M Leung, Lillian T Chong, et al.
Plos Computational Biology
|
April 21, 2023
Quantifying cooperative multisite binding in the hub protein LC8 through Bayesian inference
Aidan B Estelle, August George, Elisar J Barbar, et al.
Biophysical Journal
|
March 19, 2026
Multi-dataset Bayesian analysis synergistically boosts ITC parameter precision
Lisa Otten, Douglas R Walker, Elisar J Barbar, et al.
Plos One
|
April 24, 2019
Middle-way flexible docking: Pose prediction using mixed-resolution Monte Carlo in estrogen receptor α
Justin Spiriti, Sundar Raman Subramanian, Rohith Palli, et al.
Plos Computational Biology
|
July 3, 2020
A systems-biology approach to molecular machines: Exploration of alternative transporter mechanisms
August George, Paola Bisignano, John M Rosenberg, et al.
The Journal of Chemical Physics
|
September 28, 2013
Efficient stochastic simulation of chemical kinetics networks using a weighted ensemble of trajectories
Rory M Donovan, Andrew J Sedgewick, James R Faeder, et al.
The Journal of Chemical Physics
|
November 10, 2019
Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture
Jeremy Copperman, David Aristoff, Dmitrii E Makarov, et al.
Page
of 10
Search research articles
Search
Showing results (51-60 of 97) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
November 30, 2017
Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and Proteins
Rory M Donovan-Maiye, Christopher J Langmead, Daniel M Zuckerman
Protein Science : a Publication of the Protein Society
|
July 2, 2015
Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses
Ernesto Suárez, Adam J Pratt, Lillian T Chong, et al.
Biorxiv : the Preprint Server for Biology
|
July 17, 2025
Improving parameter inference by resolving Bayesian prior ambiguity via multi-dataset analysis: Application to isothermal titration calorimetry
Lisa Otten, Douglas R Walker, Elisar J Barbar, et al.
Biorxiv : the Preprint Server for Biology
|
April 10, 2026
Rectifying AI-generated protein structure ensembles for equilibrium using physics-based computations
Lisa Otten, Jeremy M Leung, Lillian T Chong, et al.
Plos Computational Biology
|
April 21, 2023
Quantifying cooperative multisite binding in the hub protein LC8 through Bayesian inference
Aidan B Estelle, August George, Elisar J Barbar, et al.
Biophysical Journal
|
March 19, 2026
Multi-dataset Bayesian analysis synergistically boosts ITC parameter precision
Lisa Otten, Douglas R Walker, Elisar J Barbar, et al.
Plos One
|
April 24, 2019
Middle-way flexible docking: Pose prediction using mixed-resolution Monte Carlo in estrogen receptor α
Justin Spiriti, Sundar Raman Subramanian, Rohith Palli, et al.
Plos Computational Biology
|
July 3, 2020
A systems-biology approach to molecular machines: Exploration of alternative transporter mechanisms
August George, Paola Bisignano, John M Rosenberg, et al.
The Journal of Chemical Physics
|
September 28, 2013
Efficient stochastic simulation of chemical kinetics networks using a weighted ensemble of trajectories
Rory M Donovan, Andrew J Sedgewick, James R Faeder, et al.
The Journal of Chemical Physics
|
November 10, 2019
Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture
Jeremy Copperman, David Aristoff, Dmitrii E Makarov, et al.
Page
of 10