期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 127, 期 44, 页码 9550-9559出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcb.3c04662
关键词
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In this work, a theoretical-computational method is used to study the deamidation reaction, a critical post-translational modification in proteins, using a simple model molecule in solution. The research highlights the importance of accurately considering environmental factors and developing precise kinetic models in order to correctly assess the overall kinetics of the deamidation reaction.
In this work, a theoretical-computational method is applied to study the deamidation reaction, a critical post-translational modification in proteins, using a simple model molecule in solution. The method allows one to comprehensively address the environmental effect, thereby enabling one to accurately derive the kinetic rate constants for the three main steps of the deamidation process. The results presented, in rather good agreement with the available experimental data, underline the necessity for a rigorous treatment of environmental factors and a precise kinetic model to correctly assess the overall kinetics of the deamidation reaction.
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