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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
Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models—0
Profiling Of Volatiles In Tissues Of Salacia Reticulata Wight. With Anti-Diabetic Potential Using GC-MS And Molecular Docking—0
Quantum-Inspired Machine Learning for Molecular Docking—0
RapidDock: Unlocking Proteome-scale Molecular Docking—0
ReassembleNet: Learnable Keypoints and Diffusion for 2D Fresco Reconstruction—0
Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge—0
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design—0
Research and development of MolAICal for drug design via deep learning and classical programming—0
Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores—0
Searching inhibitors for three important proteins of COVID-19 through molecular docking studies—0
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