Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations

Subjects

Subjects :

Arginine -- Chemical properties
Cysteine -- Chemical properties
Hydrolases -- Chemical properties
Enzymes -- Chemical properties
Molecular dynamics -- Usage
Quantum theory -- Usage
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

15206106

Volume :

113

Issue :

38

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry B

Publication Type :

Academic Journal

Accession number :

edsgcl.210498753