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Practical Aspects of Multiscale Classical and Quantum Simulations of Enzyme Reactions

M Dixit1, S Das1, A R Mhashal1

  • 1Lise Meitner-Minerva Center of Computational Quantum Chemistry, Bar-Ilan University, Ramat Gan, Israel.

Methods in Enzymology
|August 9, 2016
PubMed

Keywords:
Enzyme modelingMultiscale modelingNuclear quantum effectPath-integralPotential energy surfaceQuantum mechanics-molecular mechanics

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