Iain H Moal1, Brian Jiménez-García1, Juan Fernández-Recio1. 1. Joint BSC-IRB Research Programme in Computational Biology, Department of Life Sciences, Barcelona Supercomputing Center, C/Jordi Girona 29, 08034 Barcelona, Spain.
Abstract
SUMMARY: The atomic structures of protein-protein interactions are central to understanding their role in biological systems, and a wide variety of biophysical functions and potentials have been developed for their characterization and the construction of predictive models. These tools are scattered across a multitude of stand-alone programs, and are often available only as model parameters requiring reimplementation. This acts as a significant barrier to their widespread adoption. CCharPPI integrates many of these tools into a single web server. It calculates up to 108 parameters, including models of electrostatics, desolvation and hydrogen bonding, as well as interface packing and complementarity scores, empirical potentials at various resolutions, docking potentials and composite scoring functions. AVAILABILITY AND IMPLEMENTATION: The server does not require registration by the user and is freely available for non-commercial academic use at http://life.bsc.es/pid/ccharppi.
SUMMARY: The atomic structures of protein-protein interactions are central to understanding their role in biological systems, and a wide variety of biophysical functions and potentials have been developed for their characterization and the construction of predictive models. These tools are scattered across a multitude of stand-alone programs, and are often available only as model parameters requiring reimplementation. This acts as a significant barrier to their widespread adoption. CCharPPI integrates many of these tools into a single web server. It calculates up to 108 parameters, including models of electrostatics, desolvation and hydrogen bonding, as well as interface packing and complementarity scores, empirical potentials at various resolutions, docking potentials and composite scoring functions. AVAILABILITY AND IMPLEMENTATION: The server does not require registration by the user and is freely available for non-commercial academic use at http://life.bsc.es/pid/ccharppi.
Authors: Thom Vreven; Iain H Moal; Anna Vangone; Brian G Pierce; Panagiotis L Kastritis; Mieczyslaw Torchala; Raphael Chaleil; Brian Jiménez-García; Paul A Bates; Juan Fernandez-Recio; Alexandre M J J Bonvin; Zhiping Weng Journal: J Mol Biol Date: 2015-07-29 Impact factor: 5.469
Authors: Iain H Moal; Didier Barradas-Bautista; Brian Jiménez-García; Mieczyslaw Torchala; Arjan van der Velde; Thom Vreven; Zhiping Weng; Paul A Bates; Juan Fernández-Recio Journal: Bioinformatics Date: 2017-06-15 Impact factor: 6.937