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Using the Monte Carlo method to calculate several isomers of some neurotransmitters

I. S. Gusev

Memoirs of the Faculty of Physics 2022. N 4.

  • Article
Annotation

The paper presents and applies a modern, computationally efficient and economical numerical method for solving the Schrodinger equation in terms of constructing a several energy isomers of the neurotransmitter molecules glycine and dopamine in order to research their internal structure. A number of energy isomers of these molecules has been constructed, including both already known configurations and fundamentally new ones.

Received: 2022 May 16
Approved: 2022 July 27
PACS:
07.05.Tp Computer modeling and simulation
03.65.-w Quantum mechanics
Authors
I. S. Gusev
$^1$Department of Mathematical Modeling and Informatics, the Faculty of Phys., Moscow State University
Issue 4, 2022

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