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Assessment of Semiempirical Quantum Mechanical Methods for the Evaluation of Protein Structures

✍ Scribed by Wollacott, Andrew M.; Merz, Kenneth M.

Book ID
121334367
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
381 KB
Volume
3
Category
Article
ISSN
1549-9618

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## Abstract QM/MM methods have been developed as a computationally feasible solution to QM simulation of chemical processes, such as enzyme‐catalyzed reactions, within a more approximate MM representation of the condensed‐phase environment. However, there has been no independent method for checking