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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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Lever, Greg (Author)
Corporate Author: SpringerLink (Online service)
Format: Electronic eBook
Language:Inglés
Published: Cham : Springer International Publishing : Imprint: Springer, 2015.
Edition:1st ed. 2015.
Series:Springer Theses, Recognizing Outstanding Ph.D. Research,
Subjects:
Biophysics.
Physical chemistry.
Bioinformatics.
Proteins .
Enzymology.
Physical Chemistry.
Computational and Systems Biology.
Protein Biochemistry.
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