Andrzej Kolinski Research Group

Coarse-grained protein modeling

Modeling Software & Servers

Biomolecules — dynamics & interactions

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Multiscale approach to protein folding dynamics

Source:

Multiscale Approaches to Protein Modeling, Andrzej Koliński, Ed., Springer, New York:281-294, 2011

Abstract

Dynamic behavior of proteins is a key factor for understanding the functions of a living cell. Description of the conformational transitions of proteins remains extremely difficult for the computational simulation as well as the experimental techniques. No technique is able to span extremely short dynamic events together with long-timescale processes when the most interesting transitions occur. Thus new methods for simulation and utilization of all accessible experimental data are needed. The advances in the development of hybrid models, which attempt to combine a simplified modeling efficiency with atomic resolution accuracy, should provide new opportunities for the use of computer simulation in the integration of different kinds of data to study folding dynamics at relevant timescales. This review outlines the advances in description of protein dynamics and discusses recent applications of the CABS-reduced modeling tool to the studies of protein folding dynamics.

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