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Modelling of GTP Hydrolysis Reaction by Elongation Factor EF-Tu by QM/MM calculations

B.L.Grigorenko, M.S.Shadrina

QM/MM approach is applied to modelling of GTP hydrolysis reaction mechanism. We use X-ray structure as  initial atom coordinates for QM/MM calculations. We consider 2 systems: free EF-Tu and complex with ribosome.