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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 21–30 of 128 papers

TitleStatusHype
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular DockingCode1
Direct Molecular Conformation GenerationCode1
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded LibrariesCode1
DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representationsCode1
CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and SolutionsCode1
Protein language models are performant in structure-free virtual screeningCode1
Enhancing Ligand Pose Sampling for Molecular DockingCode1
Equivariant Scalar Fields for Molecular Docking with Fast Fourier TransformsCode1
A Ligand-and-structure Dual-driven Deep Learning Method for the Discovery of Highly Potent GnRH1R Antagonist to treat Uterine Diseases—0
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods—0
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