Use DynamicBind

Official Neurosnap webserver for accessing DynamicBind online.

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.

Statistics

Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.

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API Request

Access DynamicBind using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.

Job Note

Provide a name or description for your job to help you organize and track its results. This input is solely for organizational purposes and does not impact the outcome of the job.

Configuration & Options

Service Inputs

The 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.

Ready to submit your job?

Once you're done just hit the submit button below and let us do the rest.

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