Abstract:
The quantum mechanics/molecular mechanics approach is used to model the chain of elementary reactions involved in the backbone cyclization of the initially non-cyclized Gly65–Gly66–Gly67 tripeptide inside the protein matrix of the green fluorescent protein (GFP) Ser65Gly/Tyr66Gly mutant. The computationally characterized reaction mechanism provides support for understanding chromophore maturation in GFP-like fluorescent proteins.
Citation:
B. L. Grigorenko, E. D. Kots, A. I. Krylov, A. V. Nemukhin, “Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein”, Mendeleev Commun., 29:2 (2019), 187–189
Linking options:
https://www.mathnet.ru/eng/mendc1466
https://www.mathnet.ru/eng/mendc/v29/i2/p187
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