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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 11–20 of 128 papers

TitleStatusHype
CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and SolutionsCode1
Assigning Confidence to Molecular Property PredictionCode1
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular DockingCode1
Enhancing Ligand Pose Sampling for Molecular DockingCode1
CompassDock: Comprehensive Accurate Assessment Approach for Deep Learning-Based Molecular Docking in Inference and Fine-TuningCode1
Equivariant Scalar Fields for Molecular Docking with Fast Fourier TransformsCode1
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular DockingCode1
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded LibrariesCode1
DiffBindFR: An SE(3) Equivariant Network for Flexible Protein-Ligand DockingCode1
DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representationsCode1
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