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CCharPPI web server: computational characterization of protein–protein interactions from structure
dc.contributor.author | Moal, Iain H. |
dc.contributor.author | Jiménez-Garcia, Brian |
dc.contributor.author | Fernández-Recio, Juan |
dc.contributor.other | Barcelona Supercomputing Center |
dc.date.accessioned | 2017-04-07T12:24:15Z |
dc.date.available | 2017-04-07T12:24:15Z |
dc.date.issued | 2014-09-02 |
dc.identifier.citation | Moal, I. H.; Jiménez-Garcia, B.; Fernández-Recio, J. CCharPPI web server: computational characterization of protein–protein interactions from structure. "Bioinformatics", 2 Setembre 2014, vol. 31, núm. 1, p. 123-125. |
dc.identifier.issn | 1367-4803 |
dc.identifier.uri | http://hdl.handle.net/2117/103452 |
dc.description.abstract | 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. |
dc.description.sponsorship | 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. |
dc.format.extent | 3 p. |
dc.language.iso | eng |
dc.publisher | Oxford University Press |
dc.subject | Àrees temàtiques de la UPC::Enginyeria biomèdica |
dc.subject.lcsh | Protein interactions |
dc.subject.lcsh | Proteins--Analysis |
dc.subject.other | Structure-based potentials |
dc.subject.other | CCharPPI |
dc.subject.other | Web server |
dc.title | CCharPPI web server: computational characterization of protein–protein interactions from structure |
dc.type | Article |
dc.subject.lemac | Proteïnes--Investigació |
dc.subject.lemac | Proteïnes--Anàlisi |
dc.identifier.doi | 10.1093/bioinformatics/btu594 |
dc.description.peerreviewed | Peer Reviewed |
dc.relation.publisherversion | https://academic.oup.com/bioinformatics/article-lookup/doi/10.1093/bioinformatics/btu594 |
dc.rights.access | Open Access |
dc.description.version | Postprint (published version) |
dc.relation.projectid | info:eu-repo/grantAgreement/MINECO//BIO2013-48213-R/ES/DESARROLLO DE NUEVAS METODOLOGIAS DE DOCKING ENTRE PROTEINAS PARA LOS RETOS DE INTERACTOMICA Y MEDICINA PERSONALIZADA/ |
dc.relation.projectid | info:eu-repo/grantAgreement/EC/FP7/327899/EU/Exploring the evolution of protein-protein interactions and their networks using biophysical models/EEPPIBM |
local.citation.publicationName | Bioinformatics |
local.citation.volume | 31 |
local.citation.number | 1 |
local.citation.startingPage | 123 |
local.citation.endingPage | 125 |
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