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V. A. Mironov, L. A. Lychko, M. G. Khrenova

Methodological aspects of the calculation of the free energy profile of guanosinetriphosphate hydrolysis by Ras-GAP protein complex

Abstract

Applicability to enzyme catalytic reaction of methods of umbrella sampling data analysis was studied on the example of guanosinetriphosphate hydrolysis by the Ras-GAP protein complex.
Key words: small GTPases, free energy, molecular dynamics.
Moscow University Chemistry Bulletin.
2016, Vol. 57, No. 5, P. 303 		   
Copyright (C) Chemistry Dept., Moscow State University, 2002
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