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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 71–80 of 128 papers

TitleStatusHype
Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?—0
Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property PredictionCode0
Domain-Agnostic Molecular Generation with Chemical FeedbackCode1
SVSBI: Sequence-based virtual screening of biomolecular interactionsCode0
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded LibrariesCode1
Innovative Drug-like Molecule Generation from Flow-based Generative Model—0
Identification and Molecular Dynamic Simulation of Flavonoids from Mediterranean species of Oregano against the Zika NS2B-NS3 Protease—0
Multibody molecular docking on a quantum annealer—0
Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models—0
DiffDock: Diffusion Steps, Twists, and Turns for Molecular DockingCode3
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