pyDockWEB: a web server for rigid-body protein–protein docking using electrostatics and desolvation scoring
2013; Oxford University Press; Volume: 29; Issue: 13 Linguagem: Inglês
10.1093/bioinformatics/btt262
ISSN1367-4811
AutoresBrian Jiménez‐García, Carles Pons, Juan Fernández‐Recio,
Tópico(s)Microbial Metabolic Engineering and Bioproduction
ResumoAbstract Summary: pyDockWEB is a web server for the rigid-body docking prediction of protein–protein complex structures using a new version of the pyDock scoring algorithm. We use here a new custom parallel FTDock implementation, with adjusted grid size for optimal FFT calculations, and a new version of pyDock, which dramatically speeds up calculations while keeping the same predictive accuracy. Given the 3D coordinates of two interacting proteins, pyDockWEB returns the best docking orientations as scored mainly by electrostatics and desolvation energy. Availability and implementation: The server does not require registration by the user and is freely accessible for academics at http://life.bsc.es/servlet/pydock Contact: juanf@bsc.es Supplementary information: Supplementary data are available at Bioinformatics online.
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