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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 111–120 of 128 papers

TitleStatusHype
Elucidation of molecular targets of bioactive principles of black cumin relevant to its anti-tumour functionality - An Insilico target fishing approach—0
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning—0
Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models—0
Evaluation of In vitro anti-inflammatory activity and Insilico pharmacokinetics and molecular docking study of Horsfieldia iryaghedhi—0
Evaluation of Peppermint Leaf Flavonoids as SARS-CoV-2 Spike Receptor-Binding Domain Attachment Inhibitors to the Human ACE2 Receptor: A Molecular Docking Study—0
Generative Active Learning for the Search of Small-molecule Protein Binders—0
Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets—0
Generative Modeling on Lie Groups via Euclidean Generalized Score Matching—0
GeoDirDock: Guiding Docking Along Geodesic Paths—0
GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking—0
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