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

Autor: Kuriata, Aleksander, Gierut, Aleksandra Maria, Oleniecki, Tymoteusz, Ciemny, Maciej Pawel, Kolinski, Andrzej, Kurcinski, Mateusz, Kmiecik, Sebastian
Rok vydání: 2018
Předmět:
Zdroj: Nucleic Acids Research, gky356, 2018
Druh dokumentu: Working Paper
DOI: 10.1093/nar/gky356
Popis: 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
Databáze: arXiv