2.6k citations · 3.6k across the 16 of their papers we have counts for
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q-bio.BM2023★ 3 cited
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
Ian Dunn, David Ryan Koes
Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D…
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…