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The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes

HIGHLIGHTS: Computational techniques provide accurate descriptions of the structure and dynamics of biological systems, contributing to their understanding at an atomic level. Classical MD simulations are a precious computational tool for the processes where no chemical reactions take place. QM calc...

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Detalles Bibliográficos
Autores principales:	Vianello, Robert, Domene, Carmen, Mavri, Janez
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2016
Materias:	Pharmacology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4945635/ https://www.ncbi.nlm.nih.gov/pubmed/27471444 http://dx.doi.org/10.3389/fnins.2016.00327

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