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20192026
most citedLigand-induced protein dynamics differences correlate with protein-ligand binding affinities: An unsupervised deep learning approach

33 citations · 59 across the 9 of their papers we have counts for

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cond-mat.stat-mech2025

Navigating Phase Transitions with Path-Finding Algorithms: A Strategic Approach to Replica Exchange Monte Carlo

Akie Kowaguchi, Katsuhiro Endo, Kentaro Nomura +3

The replica exchange method is a powerful tool for overcoming slow relaxation in molecular simulations, but its efficiency depends strongly on the choice of the number and interval…