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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 121–128 of 128 papers

TitleStatusHype
Using the Fast Fourier Transform in Binding Free Energy CalculationsCode0
Dithymoquinone as a novel inhibitor for 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid (CMPF) to prevent renal failure—0
Atomic Convolutional Networks for Predicting Protein-Ligand Binding AffinityCode3
Highly flexible protein-peptide docking using CABS-dock—0
Towards protein-protein docking with significant structural changes using CABS-dock—0
The Computation of Cyclic Peptide with Prolin-Prolin Bond as Fusion Inhibitor of DENV Envelope Protein through Molecular Docking and Molecular Dynamics Simulation—0
Elucidation of molecular targets of bioactive principles of black cumin relevant to its anti-tumour functionality - An Insilico target fishing approach—0
High Throughput Virtual Screening with Data Level Parallelism in Multi-core Processors—0
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