JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling. - Ameya Daigavane; Bodhi P. Vani; Saeed Saremi; Joseph Kleinhenz; Joshua Rackers (CoRR, 2024)

Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention. - Zachary Smith; Michael Strobel; Bodhi P. Vani; Pratyush Tiwary (J. Chem. Inf. Model., 2024)

Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE. - Bodhi P. Vani; Akashnathan Aranganathan; Pratyush Tiwary (J. Chem. Inf. Model., 2024)