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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 calorimetryLisa Otten, Douglas R Walker, Elisar J Barbar, et al.Plos Computational Biology|April 21, 2023
Quantifying cooperative multisite binding in the hub protein LC8 through Bayesian inferenceAidan B Estelle, August George, Elisar J Barbar, et al.Biophysical Journal|March 19, 2026
Multi-dataset Bayesian analysis synergistically boosts ITC parameter precisionLisa Otten, Douglas R Walker, Elisar J Barbar, et al.Chemical Science|April 3, 2026
Large-scale protein conformational transitions revealed by weighted ensemble simulations and EPRShramana Palit, Darian T Yang, Xiaowei Bogetti, et al.Journal of Chemical Theory and Computation|January 19, 2022
WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale ApplicationsJohn D Russo, She Zhang, Jeremy M G Leung, et al.Journal of Chemical Theory and Computation|March 19, 2025
Unsupervised Learning of Progress Coordinates during Weighted Ensemble Simulations: Application to NTL9 Protein FoldingJeremy M G Leung, Nicolas C Frazee, Alexander Brace, et al.The Journal of Physical Chemistry. A|May 3, 2011
Direct observations of conformational distributions of intrinsically disordered p53 peptides using UV Raman and explicit solvent simulationsKan Xiong, Matthew C Zwier, Nataliya S Myshakina, et al.Plos One|April 24, 2019
Middle-way flexible docking: Pose prediction using mixed-resolution Monte Carlo in estrogen receptor αJustin 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 mechanismsAugust 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 trajectoriesRory M Donovan, Andrew J Sedgewick, James R Faeder, et al.Pageof 15