Computational modeling can offer insight into how energy flow in proteins mediates protein function. This book presents computational strategies for studying energy redistribution, signaling, and heat transport in proteins and other molecular machines. It also offers computational approaches developed to locate pathways between protein structures.
Proteins are the molecular machines of the cell, and computational modeling provides insight into how energy flow in proteins mediates protein function. Unique in its coverage, this volume provides a broad overview of techniques used in the study of energy flow in biological molecules in general, in addition to its particular focus on proteins. It collects and connects a variety of computational approaches developed in distinct fields of research to reveal information central to our understanding of how proteins function, while also demonstrating methods that can be used to study energy and heat transport in condensed phase systems.
? a useful guide for practitioners of molecular dynamics, theorists interested in structural biology, and users of modeling software seeking to understand the methods in more depth. The book is well organized, produced, and edited. References are up-to-date and comprehensive.-Harry A. Stern, University of Rochester, in the Journal of the American Chemical Society
