Theory and Applications of the Empirical Valence Bond Approach: From Physical Chemistry to Chemical Biology

A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes.

• Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems
• Edited by a rising star in the field of computational enzymology
• Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach

Avainsanat:

Computational modelling; Empirical Valence Bond (EVB) approach; Valence Bond Theory; Multiscale Simulations; Reactive Molecular Dynamics;QM/MM; Free Energy Calculations; Enzyme Catalysis;Computational Biochemistry