Télécharger le livre :  Large-Scale Quantum-Mechanical Enzymology
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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...

Editeur : Springer
Parution : 2015-06-06
Collection : Springer Theses
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