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

Nucleic Acids Res. 2018 Jul 2;46(W1):W338-W343. doi: 10.1093/nar/gky356.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Internet*
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Protein Conformation*
  • Proteins / chemistry*
  • Proteins / genetics
  • Software*

Substances

  • Proteins