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arXiv · 1802.07568

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

Aleksander Kuriata·Aleksandra Maria Gierut·Tymoteusz Oleniecki·Maciej Pawel Ciemny·Andrzej Kolinski·Mateusz Kurcinski·Sebastian Kmiecik
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Abstract

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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Aleksander Kuriata, Aleksandra Maria Gierut, Tymoteusz Oleniecki, Maciej Pawel Ciemny, Andrzej Kolinski, Mateusz Kurcinski, Sebastian Kmiecik. 2018-02-21. CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures. https://doi.org/10.1093/nar%2Fgky356

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