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Drug Design Molecular Docking

Overview

DynamicBind uses a deep equivariant generative model to predict ligand-specific protein-ligand complex structures. It works with unbound protein structures, including AlphaFold models, and requires only ligand SMILES and protein structure to predict complex structures.

Neurosnap Overview

The DynamicBind online webserver allows anybody with a Neurosnap account to run and access DynamicBind, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong terms of service and privacy policy.

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Features

  • Employs a deep equivariant generative model to predict ligand-specific protein-ligand complex structures.
  • Works with unbound protein structures, including AlphaFold models.
  • Requires only ligand SMILES and protein structure to predict complex structures.

Configuration & Options

Service Inputs

Allowed Types: pdb
A PDB file containing the receptor protein structure to predict protein-ligand complexes with.

The ligand you want to predict in complex with the receptor protein. Supports small molecules, SMILES strings, and PDB files for small peptides only.

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