The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery [Hardcover]

This book introduces recent progress in biological energetics from ATP hydrolysis to molecular machineries. The role of water is now recognized to be essential in biological molecular energetics. Although energetics is a rather distant field to many biologists, any working models for protein machineries such as protein motors, transporters, and other enzymes must be consistent with their energetics. Therefore, the book is intended to help scientists build systematic models of biomolecular functions based on three categories: (1) ATP hydrolysis reactions including ionic hydration and protonationdeprotonation of biomolecules, (2) proteinligand/proteinprotein interactions including hydrationdehydration processes, and (3) functioning mechanisms of protein machineries based on water functions. Part I: Basis of ATP Hydrolysis Reaction

1.    Free Energy Analyses for the ATP Hydrolysis in Aqueous Solution by Large-Scale QM/MM Simulations Combined with a Theory of Solutions

Hideaki Takahashi

2.     Role of Metal Ion Binding and Protonation in ATP Hydrolysis Energetics

Shun-ichi Kidokoro

3.    Spatial Distribution of Ionic Hydration Energy and Hyper-mobile Water

George Mogami, Makoto Suzuki and Nobuyuki Matubayasi

4.    Theoretical studies of strong attractive interaction between macro-anions mediated by multivalent metal cations and related association behavior: Effective interaction between ATP binding proteins can be regulated by hydrolysis.

Ryo Akiyama

5.    Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue

Norio Yoshida and Fumio Hirata

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