Large-Scale Quantum-Mechanical Enzymology
-15%
portes grátis
Large-Scale Quantum-Mechanical Enzymology
Lever, Greg
Springer International Publishing AG
10/2016
148
Mole
Inglês
9783319369471
15 a 20 dias
2642
Descrição não disponível.
Introduction.- Proteins, Enzymes and Biological Catalysis.- Computational Techniques.- Validation Studies.- Explaining the Closure of CHOMO-LUMO Gaps in Biomolecular Systems.- A Density-Functional Perspective on the Chorismate Mutase Enzyme.- Concluding Remarks.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
CHOMO-LUMO Gaps;Density Functional Calculations for Enzyme Analysis;Energetic structure of biomolecules;Enzyme modelling;Linear scaling DFT;Modelling Enzyme Catalysis;Protein modelling;Spectra of biomolecules;Structure of biomolecules;Transition state searching;Understanding enzyme catalysis;Understanding enzyme catalysis
Introduction.- Proteins, Enzymes and Biological Catalysis.- Computational Techniques.- Validation Studies.- Explaining the Closure of CHOMO-LUMO Gaps in Biomolecular Systems.- A Density-Functional Perspective on the Chorismate Mutase Enzyme.- Concluding Remarks.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
CHOMO-LUMO Gaps;Density Functional Calculations for Enzyme Analysis;Energetic structure of biomolecules;Enzyme modelling;Linear scaling DFT;Modelling Enzyme Catalysis;Protein modelling;Spectra of biomolecules;Structure of biomolecules;Transition state searching;Understanding enzyme catalysis;Understanding enzyme catalysis
