SOTAVerified

Molecular Docking

Predicting the binding structure of a small molecule ligand to a protein, which is critical to drug design.

Description from: DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 1–10 of 128 papers

TitleStatusHype
CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and SolutionsCode1
PocketVina Enables Scalable and Highly Accurate Physically Valid Docking through Multi-Pocket ConditioningCode2
ReassembleNet: Learnable Keypoints and Diffusion for 2D Fresco Reconstruction—0
Prediction of Novel CXCR7 Inhibitors Using QSAR Modeling and Validation via Molecular Docking—0
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action—0
Computational Analysis using Multi-ligand Simultaneous Docking of Withaferin A and Garcinol Reveals Enhanced BCL-2 and AKT-1 Inhibition—0
In Silico Prediction and Validation of LmGt Inhibitors Using QSAR and Molecular Docking Approaches—0
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning—0
PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross DockingCode2
Fast and Accurate Blind Flexible DockingCode2
Show:102550
← PrevPage 1 of 13Next →

No leaderboard results yet.