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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 5160 of 128 papers

TitleStatusHype
Evaluation of Peppermint Leaf Flavonoids as SARS-CoV-2 Spike Receptor-Binding Domain Attachment Inhibitors to the Human ACE2 Receptor: A Molecular Docking Study0
HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations0
Highly flexible protein-peptide docking using CABS-dock0
High Throughput Virtual Screening with Data Level Parallelism in Multi-core Processors0
Evaluation of In vitro anti-inflammatory activity and Insilico pharmacokinetics and molecular docking study of Horsfieldia iryaghedhi0
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation0
Hybrid Approach to Identify Druglikeness Leading Compounds against COVID-19 3CL Protease0
Identification and Molecular Dynamic Simulation of Flavonoids from Mediterranean species of Oregano against the Zika NS2B-NS3 Protease0
AI Model for Predicting Binding Affinity of Antidiabetic Compounds Targeting PPAR0
Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models0
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