Description
Book SynopsisThis practical reference explores computer modeling of enzyme reactions - techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.
Trade Review". . . strongly recommended to scientists and students who want to advance beyond the menu screen and graphic user interface of their computer.".--Journal of Medicinal Chemistry
Table of ContentsBasic Principles of Chemical Bonding.
Chemical Reactions in the Gas Phase and in Simple SolventModels.
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 theCatalytic Reaction of Lysozyme.
Serine Proteases and the Examination of Different MechanisticOptions.
Simulating Metalloenzymes.
How Do Enzymes Really Work?
Index.
