Title:
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CCharPPI web server: computational characterization of protein–protein interactions from structure
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Author:
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Moal, Iain H.; Jiménez-García, Brian; Fernández-Recio, Juan
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Other authors:
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Barcelona Supercomputing Center |
Abstract:
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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. |
Abstract:
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The methods implemented have come from many laboratories, and the authors would like to thank all those who have made their parameters, code and software available, and for clarifying questions regarding licencing.
Funding: The research leading to these results has received funding from the People Programme (Marie Curie Actions) of the
European Unions Seventh Framework Programme (FP7/2007-2013) under REA grant agreement PIEF-GA-2012-327899 and
grant BIO2013-48213-R from Spanish Ministry of Economy and Competitiveness. |
Abstract:
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Peer Reviewed |
Subject(s):
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-Àrees temàtiques de la UPC::Enginyeria biomèdica -Protein-protein interactions -Biological systems--Computer simulation -Protein–protein interactions -Parameter calculation tools -Simulació, Mètodes de -Proteïnes--Enginyeria genètica |
Rights:
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Document type:
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Article - Published version Article |
Published by:
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Oxford Journals
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