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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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physics.chem-ph2026

Auto-WHATMD : Automated Wasserstein-based High-dimensional feature extraction Analysis of Trajectories from Molecular Dynamics

Sosuke Asano, Ikki Yasuda, Katsuhiro Endo +2

Comparing multiple protein systems with variation such as different binding ligands or mutations, and understanding their effects is one of the objectives in molecular dynamics sim…