Mapping Reaction Pathways from Crystallographic Data
To appreciate biochemical processes at the molecular level, it is necessary to have a basic understanding of the stereochemical course of reactions. Though much data have been accumulated on a variety of reaction mechanisms from kinetic studies, the detailed course of the structural transformations that take place during a reaction has eluded the experimentalist. At present, experimental techniques are not capable of directly measuring the geometrical changes that occur during a reaction, apart from characterizing the products, reactants, and stable intermediates. Quantum-mechanical calculations, which are of value in deriving such information for very simple reactions, are beset with numerous practical difficulties when complex organic systems are to be treated.
KeywordsReaction Path Bond Number Bovine Pancreatic Trypsin Inhibitor Tetrahedral Intermediate Basal Bond
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