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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
Network Pharmacology, Molecular Docking, and MR Analysis: Targets and Mechanisms of Gegen Qinlian Decoction for Helicobacter pylori—0
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-ThreatsCode0
Profiling Of Volatiles In Tissues Of Salacia Reticulata Wight. With Anti-Diabetic Potential Using GC-MS And Molecular Docking—0
Drug Repurposing Targeting COVID-19 3CL Protease using Molecular Docking and Machine Learning Regression Approach—0
In silico Identification of tipifarnib-like compounds by structure-based pharmacophore, virtual screening and molecular docking against K-Ras post-translation in colorectal cancer—0
Optimization of binding affinities in chemical space with generative pretrained transformer and deep reinforcement learningCode0
HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations—0
DSDP: A Blind Docking Strategy Accelerated by GPUs—0
Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation?—0
Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?—0
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