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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

Showing 3140 of 128 papers

TitleStatusHype
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods0
Docking-based generative approaches in the search for new drug candidates0
A biologically-inspired multi-modal evaluation of molecular generative machine learning0
Docking-Aware Attention: Dynamic Protein Representations through Molecular Context Integration0
Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening0
Dithymoquinone as a novel inhibitor for 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid (CMPF) to prevent renal failure0
Computational evidence on repurposing the anti-influenza drugs baloxavir acid and baloxavir marboxil against COVID-190
Evaluation of In vitro anti-inflammatory activity and Insilico pharmacokinetics and molecular docking study of Horsfieldia iryaghedhi0
Diffusion Models in De Novo Drug Design0
Computational Analysis using Multi-ligand Simultaneous Docking of Withaferin A and Garcinol Reveals Enhanced BCL-2 and AKT-1 Inhibition0
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