Large-Scale Quantum-Mechanical Enzymology
This work establishes linear-scaling density-functional theory (DFT) as a powerful tool for understanding enzyme catalysis, one that can complement quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics simulations. The thesis reviews benchmark studies demonstrating techniques capable...
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| Format: | Knjiga |
| Jezik: | English |
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Springer
2016
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| Teme: | |
| Online dostop: | https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/59820 |
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| Thư viện lưu trữ: | Thư viện Trường Đại học Đà Lạt |
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