Convergence is Not Correctness: Context-Dependent Performance of Enhanced-Sampling Methods Across Biological Complexity

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Authors: Christopher Kang, Cheng Giuseppe Chen, Chenyu Tang, Sergio Contreras Arredondo, Mengchen Zhou, Haohao Fu, Lan Yang, James C. Gumbart, Ashkan Ghaan, Mahmoud Moradi, Haochuan Chen, Rui Sun
+3 more Jonathan D Harris, Benoı̂t Roux, Christophe J. Chipot
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Fields of Study & Subjects

Protein Structure and Dynamics Advanced Physical and Chemical Molecular Interactions Markov Chains and Monte Carlo Methods

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
10 February 2026
Language
EN