Use DiffDock-L
Official Neurosnap webserver for accessing DiffDock-L online.
Overview
DiffDock-L is the newer and better version of DiffDock, a state of the art method for molecular docking and drug binding structure prediction. This service uses DiffDock-L and AutoDock VINA to predict protein-ligand interactions with high accuracy.
Neurosnap Overview
The DiffDock-L online webserver allows anybody with a Neurosnap account to run and access DiffDock-L, 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
- Utilizes the improved DiffDock-L implementation.
- Predict ligand binding to a protein target of interest.
- Can be used for drug design as well as domain identification.
- Includes an interactive 3D protein viewer with the docked ligand.
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 DiffDock-L 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 DiffDock-L in publications or research outputs.
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Corso, G., Stärk, H., Jing, B., Barzilay, R., & Jaakkola, T. (2023, February 11). DiffDock: Diffusion steps, twists, and turns for Molecular Docking. arXiv.org. https://doi.org/10.48550/arXiv.2210.01776 |
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D. R. Koes, M. P. Baumgartner, and C. J. Camacho. 2013. Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise . Journal of Chemical Information and Modeling. 53(8) : 1893-1904. |
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Eberhardt, J., Santos-Martins, D., Tillack, A.F., Forli, S. (2021). AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Journal of Chemical Information and Modeling. |
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Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461. |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |
Video Tutorial
The following youtube video describes how to use DiffDock-L using Neurosnap's online webserver. If you have any questions or want to suggest improvements for future tutorials please contact us here.
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.
Inputs & Configuration
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.
Estimated Credits: calculating...
To submit a job please login or register an account.