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Interaction Analysis

Detect and summarize molecular interactions across uploaded structures.

Overview

Analyze protein and biomolecular structures for hydrogen bonds, salt bridges, van der Waals contacts and clashes, disulfide bonds, metal coordination, covalent records, and geometric contacts using the Neurosnap interaction engine.

Run Interaction Analysis on Neurosnap

The Interaction Analysis online webserver allows anybody with a Neurosnap account to run and access Interaction Analysis, 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.

Interaction Analysis service preview

Features

  • Detects hydrogen bonds, salt bridges, van der Waals contacts and clashes, disulfides, coordination, covalent records, and geometric contacts from uploaded structures.
  • Reports interaction records with source filenames and aggregate summary statistics across the uploaded structures.
  • Adjustable metal coordination, hydrogen bond, and salt bridge distance cutoffs, with optional filtering to residues of interest.

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 Analysis 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 Analysis in publications or research outputs.

Amani, Keaun, and Danial Gharaie Amirabadi. 2024. Neurosnap SDK Package. Software. https://github.com/NeurosnapInc/neurosnap.

Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/

Set up your run

Configure Interaction Analysis

Choose your inputs and settings, then review the estimated credits before submitting.

Use a note to recognize this job later. It does not affect the results.

Inputs & configuration

Loading inputs and options... validating knobs, tuning dials, and staging your experiment.

Ready to submit your job?

Review your configuration, then confirm the estimated credit cost before you run the job.

Note that credit estimates are not guaranteed and runtime can vary depending on inputs and settings.

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