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Coarse-Grained Models of the Proteins Backbone Conformational Dynamics

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Part of the Advances in Experimental Medicine and Biology book series (AEMB, volume 805)

Abstract

Coarse-grained models are more and more frequently used in the studies of the proteins structural and dynamic properties, since the reduced number of degrees of freedom allows to enhance the conformational space exploration. This chapter attemps to provide an overview of the various coarse-grained models that were applied to study the functional conformational changes of the polypeptides main chain around their native state. It will more specifically discuss the methods used to represent the protein backbone flexibility and to account for the physico-chemical interactions that stabilize the secondary structure elements.

Keywords

Protein coarse-grained models Molecular dynamics simulation Backbone flexibility Functional conformational changes Effective physicochemical potentials 
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© Springer International Publishing Switzerland 2014

Authors and Affiliations

  1. 1.BIOCIS – UMR CNRS 8076, Faculté de Pharmacie – Université Paris SudChâtenay-MalabryFrance

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