3 citations · 3 across the 2 of their papers we have counts for
3 papers
Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking
Maksim Zhdanov, Pavel Strashnov, Vladislav Kurenkov
Molecular docking requires reasoning jointly about ligand pose and protein flexibility. Most diffusion-based docking models predict torsional updates with generic Euclidean heads t…
Diffusion on language model encodings for protein sequence generation
Viacheslav Meshchaninov, Pavel Strashnov, Andrey Shevtsov +4
Protein sequence design has seen significant advances through discrete diffusion and autoregressive approaches, yet the potential of continuous diffusion remains underexplored. Her…
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction
Alexander Telepov, Artem Tsypin, Kuzma Khrabrov +8
A rational design of new therapeutic drugs aims to find a molecular structure with desired biological functionality, e.g., an ability to activate or suppress a specific protein via…