Computer modeling of chemical reactions in enzymes and solutions

Arieh Warshel9780471533955, 0471533955

Examines computer modeling of enzyme reactions (including enzyme kinetics), techniques popular in the fields of physical, organic, and biochemistry as well as pharmaceutical research. Includes practical computer exercises and sample computer programs which can be run on a PC. The programs serve as simple illustrations of the different concepts of computer modeling and as an introduction to more versatile computer modeling packages which can be run on mainframes. Also provides an introduction to the rapidly growing field of computer simulation and modeling of macromolecules, emphasizing structure-function correlation in proteins and the action of enzymes.