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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
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded LibrariesCode1
Direct Molecular Conformation GenerationCode1
DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representationsCode1
Assigning Confidence to Molecular Property PredictionCode1
Enhancing Ligand Pose Sampling for Molecular DockingCode1
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular DockingCode1
Equivariant Scalar Fields for Molecular Docking with Fast Fourier TransformsCode1
Scaling Structure Aware Virtual Screening to Billions of Molecules with SPRINTCode1
DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction PredictionCode0
DeepAtom: A Framework for Protein-Ligand Binding Affinity PredictionCode0
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