QM/MM - PBSA method to estimate free energies for reations in proteins

Subjects

Subjects :

Electrostatic interactions -- Analysis
Gibbs' free energy -- Evaluation
Molecular dynamics -- Usage
Oxidation-reduction reaction -- Analysis
Proteins -- Chemical properties
Proteins -- Thermal properties
Quantum theory -- Analysis
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

15206106

Volume :

112

Issue :

39

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry B

Publication Type :

Academic Journal

Accession number :

edsgcl.191981751