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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
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough ReproductionCode0
DeepAtom: A Framework for Protein-Ligand Binding Affinity PredictionCode0
ResAtom System: Protein and Ligand Affinity Prediction Model Based on Deep LearningCode0
Using the Fast Fourier Transform in Binding Free Energy CalculationsCode0
SVSBI: Sequence-based virtual screening of biomolecular interactionsCode0
Screening of BindingDB database ligands against EGFR, HER2, Estrogen, Progesterone and NF-kB receptors based on machine learning and molecular dockingCode0
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-ThreatsCode0
DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction PredictionCode0
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