Computer Modeling of Chemical Reactions in Enzymes and Solutions

This practical reference explores computer modeling of enzyme reations––techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Spis treści:
Basic Principles of Chemical Bonding.
Chemical Reactions in the Gas Phase and in Simple Solvent Models.
Chemical Reaction in All–Atom Solvent Models.
Potential Surfaces and Simulations of Macromolecules.
Modeling Reactions in Enzymes: An Introduction.
General Acid Catalysis and Electrostatic Stabilization in the Catalytic Reaction of Lysozyme.
Serine Proteases and the Examination of Different Mechanistic Options.
Simulating Metalloenzymes.
How Do Enzymes Really Work?
Index.