title: CABS-flex: Server for fast simulation of protein structure fluctuations.
abstract: The CABS-flex server (http://biocomp.chem.uw.edu.pl/CABSflex) implements CABS-model-based protocol for the fast simulations of near-native dynamics of globular proteins. In this application, the CABS model was shown to be a computationally efficient alternative to all-atom molecular dynamics--a classical simulation approach. The simulation method has been validated on a large set of molecular dynamics simulation data. Using a single input (user-provided file in PDB format), the CABS-flex server outputs an ensemble of protein models (in all-atom PDB format) reflecting the flexibility of the input structure, together with the accompanying analysis (residue mean-square-fluctuation profile and others). The ensemble of predicted models can be used in structure-based studies of protein functions and interactions.
authors: Faculty of Chemistry, University of Warsaw, Warsaw 02-093, Poland.
authors: Michal
authors: M
authors: Jamroz
authors: Andrzej
authors: A
authors: Kolinski
authors: Sebastian
authors: S
authors: Kmiecik
mesh_terms: D003198:Computer Simulation; D030562:Databases, Protein; D020407:Internet; D056004:Molecular Dynamics Simulation; D011487:Protein Conformation; D012984:Software
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