Dobers, Simon

2 publications

NeurIPSW 2023 DiffDock-Pocket: Diffusion for Pocket-Level Docking with Sidechain Flexibility Michael Plainer, Marcella Toth, Simon Dobers, Hannes Stark, Gabriele Corso, Céline Marquet, Regina Barzilay

NeurIPSW 2023 Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics Simon Dobers, Hannes Stark, Xiang Fu, Dominique Beaini, Stephan Günnemann