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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 91–100 of 128 papers

TitleStatusHype
DOCKSTRING: easy molecular docking yields better benchmarks for ligand designCode1
Improved Drug-target Interaction Prediction with Intermolecular Graph Transformer—0
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design—0
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation—0
Shape Complementarity Optimization of Antibody-Antigen Interfaces: the Application to SARS-CoV-2 Spike Protein—0
In silico Prediction of Mozenavir as potential drug for SARS-CoV-2 infection via Binding Multiple Drug Targets—0
ResAtom System: Protein and Ligand Affinity Prediction Model Based on Deep LearningCode0
Information-Driven Modeling of Biomolecular Complexes—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
Assigning Confidence to Molecular Property PredictionCode1
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