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Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical Calculations

✍ Scribed by Lin, Hai; Zhao, Yan; Tishchenko, Oksana; Truhlar, Donald G.


Book ID
127301543
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
181 KB
Volume
2
Category
Article
ISSN
1549-9618

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πŸ“œ SIMILAR VOLUMES


Combined quantum and molecular mechanics
✍ Ulf Ryde πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 281 KB

The combination of quantum mechanics and molecular mechanics (QM/MM) methods is one of the most promising approaches to study the structure, function and properties of proteins. The number of QM/MM applications on metalloproteins is steadily increasing, especially studies with density functional met