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 1–25 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
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action—0
Prediction of Novel CXCR7 Inhibitors Using QSAR Modeling and Validation via Molecular Docking—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
Generative Modeling on Lie Groups via Euclidean Generalized Score Matching—0
Docking-Aware Attention: Dynamic Protein Representations through Molecular Context Integration—0
Group Ligands Docking to Protein Pockets—0
AI Model for Predicting Binding Affinity of Antidiabetic Compounds Targeting PPAR—0
PLD-Tree: Persistent Laplacian Decision Tree for Protein-Protein Binding Free Energy Prediction—0
In Silico Pharmacokinetic and Molecular Docking Studies of Natural Plants against Essential Protein KRAS for Treatment of Pancreatic Cancer—0
Scaling Structure Aware Virtual Screening to Billions of Molecules with SPRINTCode1
GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking—0
Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening—0
QuickBind: A Light-Weight And Interpretable Molecular Docking ModelCode1
RapidDock: Unlocking Proteome-scale Molecular Docking—0
MF-LAL: Drug Compound Generation Using Multi-Fidelity Latent Space Active LearningCode0
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular DockingCode1
WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction—0
To Explore the Potential Inhibitors against Multitarget Proteins of COVID 19 using In Silico Study—0
Show:102550
← PrevPage 1 of 6Next →

No leaderboard results yet.