activity
20212026
most citedLigand-induced protein dynamics differences correlate with protein-ligand binding affinities: An unsupervised deep learning approach

33 citations · 39 across the 7 of their papers we have counts for

collaborators
Showing 2026Show all

1 paper · 1 filter

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…