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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 111120 of 128 papers

TitleStatusHype
Searching inhibitors for three important proteins of COVID-19 through molecular docking studies0
Application of Information Spectrum Method on Small Molecules and Target Recognition0
Molecular docking and binding mode analysis of selected FDA approved drugs against COVID-19 selected key protein targets: An effort towards drug repurposing to identify the combination therapy to combat COVID-190
Prediction of Potential Commercially Available Inhibitors against SARS-CoV-2 by Multi-Task Deep Learning Model0
DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representationsCode1
DeepAtom: A Framework for Protein-Ligand Binding Affinity PredictionCode0
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning0
Prediction of Cytochrome P450-Mediated Metabolism Using a Combination of QSAR Derived Reactivity and Induced Fit Docking0
The tetrazole analogue of the auxin indole-3-acetic acid binds preferentially to TIR1 and not AFB50
Molecular dynamics simulations reveal the role of ceramicine B as novel PPAR partial agonist against type 2 diabetes0
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