Entropy-Enthalpy Compensation: Finding a Methodological Common Denominator through Probability, Statistics, and Physics

Professionals recognize entropy-enthalpy compensation as an important factor in molecular recognition, lead design, water networks, and protein engineering. It can be experimentally studied by proper combinations of diverse spectroscopic approaches with isothermal titration calorimetry and is clearly related to molecular dynamics. So, how should we treat entropy-enthalpy compensation? Is it a stubborn hindrance that solely complicates the predictability of phenomena otherwise laid on the line by Mother Nature? How should we then deal with it? This book dwells on these posers. It combines two chapters written by globally recognized specialists. Chapter 1 deals with general issues and suggests a definite approach to how we may answer the posers. Chapter 2 shows how the approach outlined might be successfully applied in a rational design of enzymes. This might provide other interesting strategic perspectives in the general theoretical physical chemistry field.

Evgeni Starikov is a specialist in theoretical biophysical chemistry with nearly 30 years of professional experience. Currently, he is a freelance researcher at Chalmers University of Technology, Sweden, and Kobe University, Japan. Prof. Starikov has authored around 100 articles and a monograph and co-edited a book. His current research interests include applications of thermodynamics.

Bengt Nordén is chair professor of physical chemistry at the Chalmers University of Technology, Gothenburg, Sweden, since 1979. He is a member of the Royal Swedish Academy of Sciences’ Class that awards the Nobel Prize for Chemistry and founder and chairman of the Molecular Frontiers Foundation, a global organization hosted by the academy to identify breakthroughs in science early on and stimulate young people’s and society’s interests in science by entry through molecular sciences. He has authored around 500 scientific papers and textbooks mainly on DNA and other biomacromolecules studied in solution using polarized light spectroscopy.

Shigenori Tanaka is professor at Kobe University, Japan, since 2004. He has authored around 170 peer-reviewed papers and co-edited a couple of books. His primary research interests are the development of first-principles computational methods for biomolecular systems and their applications for bottom-up modeling of biological phenomena.