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

Robert Vianello, Carmen Domene Nunez, Janez Mavri

Research output: Contribution to journalArticlepeer-review

33 Citations (SciVal)
Original languageEnglish
JournalFrontiers in Neuroscience
Issue numberJUL
Publication statusPublished - 1 Jul 2016


  • Central nervous system, Drug design, Hydride transfer reaction, Molecular dynamics simulation, Multiscale simulations, Neural signal transduction, Neurotransmitter metabolism, Omputational enzymology

Cite this