pyDockWEB
pyDockWEB is a web server for predicting protein-protein complex structures using the pyDock scoring algorithm. It uses a new custom parallel FTDock implementation with optimized grid size and a new version of pyDock that speeds up calculations while maintaining predictive accuracy. The server scores docking orientations based mainly on electrostatics and desolvation energy. The tool is freely accessible for academics and does not require registration.
Topic
Computational chemistry
Detail
Operation: Protein quaternary structure prediction
Software interface: Web user interface
Language: -
License: Creative Commons Attribution 4.0 International Public License
Cost: Free
Version name: -
Credit: Spanish Ministry of Science and Innovation
Input: PDB
Output: -
Contact: bjimenez@bsc.es, https://model3dbio.csic.es/pydockdna/info/contactus
Collection: -
Maturity: -
Publications
- pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring.
- Jiménez-García B, et al. pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring. pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring. 2013; 29:1698-9. doi: 10.1093/bioinformatics/btt262
- https://doi.org/10.1093/bioinformatics/btt262
- PMID: 23661696
- PMC: -
Download and documentation
Documentation: https://model3dbio.csic.es/pydockdna/info/faq_and_help
Home page: https://life.bsc.es/servlet/pydock/
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