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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 81–90 of 128 papers

TitleStatusHype
Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property PredictionCode0
SVSBI: Sequence-based virtual screening of biomolecular interactionsCode0
Innovative Drug-like Molecule Generation from Flow-based Generative Model—0
Identification and Molecular Dynamic Simulation of Flavonoids from Mediterranean species of Oregano against the Zika NS2B-NS3 Protease—0
Multibody molecular docking on a quantum annealer—0
Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models—0
Structured Q-learning For Antibody Design—0
A biologically-inspired multi-modal evaluation of molecular generative machine learning—0
Widely Used and Fast De Novo Drug Design by a Protein Sequence-Based Reinforcement Learning Model—0
Hybrid Approach to Identify Druglikeness Leading Compounds against COVID-19 3CL Protease—0
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