Simulating Enzyme Reactivity

The simulation of enzymatic reactions is attracting an increasing amount of attention because of the potential applications in the development of new drugs or new environmental-friendly catalysts and the understanding of complex biological process at the molecular level. This book covers the theories, methodologies and applications of simulations of enzyme reactions. It provides the basic knowledge to for postgraduate students and researchers interested in this field.

Inaki Tunon is a Professor of Physical Chemistry at the Univeristy of Valencia, Spain. His research focusses on the modelling of chemical reactions in biological environments.
Vicent Moliner is a Professor of Physical Chemistry at the University Jaume I, Spain. His research interests lie in computational chemistry, with an emphasis on the study of enzymatic reactivity.