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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

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Showing 51–60 of 128 papers

TitleStatusHype
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough ReproductionCode0
Equivariant Scalar Fields for Molecular Docking with Fast Fourier TransformsCode1
Enhancing Ligand Pose Sampling for Molecular DockingCode1
Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking—0
DiffBindFR: An SE(3) Equivariant Network for Flexible Protein-Ligand DockingCode1
Docking-based generative approaches in the search for new drug candidates—0
Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models—0
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods—0
Benzophenone Semicarbazones as Potential alpha-glucosidase and Prolyl Endopeptidase Inhibitor: In-vitro free radical scavenging, enzyme inhibition, mechanistic, and molecular docking studies—0
Network Pharmacology, Molecular Docking, and MR Analysis: Targets and Mechanisms of Gegen Qinlian Decoction for Helicobacter pylori—0
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