Email this article Methodological aspects of the calculation of the free energy profile of guanosine triphosphate hydrolysis by Ras-GAP protein complex
- Authors: Mironov V.A.1, Lychko L.A.1, Khrenova M.G.1
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Affiliations:
- Department of Chemistry
- Issue: Vol 71, No 5-6 (2016)
- Pages: 283-286
- Section: Article
- URL: https://journals.rcsi.science/0027-1314/article/view/163309
- DOI: https://doi.org/10.3103/S0027131416050047
- ID: 163309
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Abstract
Methods of statistical data analysis for umbrella sampling simulations of enzyme catalytic reactions were considered using guanosine triphosphate hydrolysis by the Ras-GAP protein complex as an example.
About the authors
V. A. Mironov
Department of Chemistry
Author for correspondence.
Email: vmironov@lcc.chem.msu.ru
Russian Federation, Moscow
L. A. Lychko
Department of Chemistry
Email: vmironov@lcc.chem.msu.ru
Russian Federation, Moscow
M. G. Khrenova
Department of Chemistry
Email: vmironov@lcc.chem.msu.ru
Russian Federation, Moscow
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