2 citations · 2 across the 2 of their papers we have counts for
2 papers
q-bio.BM2023★ 2 cited
FlexVDW: A machine learning approach to account for protein flexibility in ligand docking
Patricia Suriana, Joseph M. Paggi, Ron O. Dror
Most widely used ligand docking methods assume a rigid protein structure. This leads to problems when the structure of the target protein deforms upon ligand binding. In particular…
cs.LG2023
Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property Prediction
Christopher Fifty, Joseph M. Paggi, Ehsan Amid +2
Few-shot learning is a promising approach to molecular property prediction as supervised data is often very limited. However, many important molecular properties depend on complex…