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20232026
most citedLook mom, no experimental data! Learning to score protein-ligand interactions from simulations

3 citations · 6 across the 5 of their papers we have counts for

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q-bio.QM2023★ 2 cited

PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular Docking

Michael Brocidiacono, Konstantin I. Popov, David Ryan Koes +1

Molecular docking aims to predict the 3D pose of a small molecule in a protein binding site. Traditional docking methods predict ligand poses by minimizing a physics-inspired scori…