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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
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular DockingCode1
Domain-Agnostic Molecular Generation with Chemical FeedbackCode1
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded LibrariesCode1
SHREC 2022: Protein-ligand binding site recognitionCode1
Direct Molecular Conformation GenerationCode1
DOCKSTRING: easy molecular docking yields better benchmarks for ligand designCode1
Assigning Confidence to Molecular Property PredictionCode1
DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representationsCode1
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
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