Pub. Date : 2016 Nov 10
PMID : 27734680
1 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | In this work, we present atomistic empirical valence bond simulations of the rate-limiting step of the MAO-A-catalyzed NA (norepinephrine) degradation, involving hydride transfer from the substrate alpha-methylene group to the flavin moiety of the flavin adenine dinucleotide prosthetic group, employing the full dimensionality and thermal fluctuations of the hydrated enzyme, with extensive configurational sampling. | 4,6-dinitro-o-cresol | monoamine oxidase A | Homo sapiens |