CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures

Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input. The method has been made available as the CABS-flex w...

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Detalles Bibliográficos
Autores principales: Kuriata, Aleksander, Gierut, Aleksandra Maria, Oleniecki, Tymoteusz, Ciemny, Maciej Paweł, Kolinski, Andrzej, Kurcinski, Mateusz, Kmiecik, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2018
Materias:
Web Server Issue
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6031000/
https://www.ncbi.nlm.nih.gov/pubmed/29762700
http://dx.doi.org/10.1093/nar/gky356
Descripción
Sumario:Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input. The method has been made available as the CABS-flex web server and applied in numerous studies of protein structure-function relationships. Here, we present a major update of the CABS-flex web server to version 2.0. The new features include: extension of the method to significantly larger and multimeric proteins, customizable distance restraints and simulation parameters, contact maps and a new, enhanced web server interface. CABS-flex 2.0 is freely available at http://biocomp.chem.uw.edu.pl/CABSflex2.

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