Interaction Fingerprint
Compare protein-ligand interaction fingerprints across compounds with ProLIF.
Overview
Compute protein-ligand interaction fingerprints with ProLIF across multiple pre-docked complexes, then compare binding interaction profiles using pairwise Tanimoto similarity.
Run Interaction Fingerprint on Neurosnap
The Interaction Fingerprint online webserver allows anybody with a Neurosnap account to run and access Interaction Fingerprint, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Generate ProLIF interaction fingerprints for multiple pre-docked protein-ligand complexes.
- Compare compounds using pairwise Tanimoto similarity of interaction fingerprints.
- Automatic implicit or explicit hydrogen handling per uploaded structure.
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 Interaction Fingerprint 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.
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Citations
Please cite the original work when using Interaction Fingerprint in publications or research outputs.
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Bouysset C, Fiorucci S. ProLIF: a library to encode molecular interactions as fingerprints. J Cheminform. 2021;13(1):72. doi:10.1186/s13321-021-00548-6. |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |