Recognition of trans and gauche phenylethylamine conformers in the active site of human monoamine oxidase B: A MD-simulation and DFT studies

Published 2018 View Full Article

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Title
Recognition of trans and gauche phenylethylamine conformers in the active site of human monoamine oxidase B: A MD-simulation and DFT studies
Authors
Keywords
Monoamine oxidase B, Neurotransmitter, Phenylethylamine, Molecular dynamics simulation, Density functional theory, Conserved water molecules
Journal
Computational and Theoretical Chemistry
Volume 1127, Issue -, Pages 44-51
Publisher
Elsevier BV
Online
2018-02-02
DOI
10.1016/j.comptc.2018.01.021

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