Titlebook: Computational Methods for Estimating the Kinetic Parameters of Biological Systems; Quentin Vanhaelen Book 2022 Springer Science+Business M

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Kiyotaka Hitomi,Norihiro Tsukagoshiox switches and probes, as well as the kinetic parameters that describe the reduction and oxidation of redox switches. The protocols are an analytical tool that helps to depict the cellular hydrogen peroxide signaling landscape, giving new insights on H.O. signaling mechanisms, and hold the potentia

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Hilton H. Mollenhauer,D. James Morréstarts from the PDB structure of the enzyme, through MD simulation of enzyme: substrate complex and statistical analysis of MD trajectory, selection of a model of the?active site, and study of reaction pathways. We show how theoretical predictions basing on QM-only cluster models, QM:MM model, or mu

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Ali N. Akansu,Richard A. Haddadbines a range of processes, such as turnover, protein binding, internalization, and non-specific elimination, and often serves as a nucleus of more complex pharmacokinetic models. It is simple enough to comprehend but complex enough to be able to describe a wide range of phenomena and data sets. How