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

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


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