Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems

Romain Berraud-Pache 1 Cristina Garcia-Iriepa 1 Isabelle Navizet 1, *
* Corresponding author
1 MSME - Laboratoire de Modélisation et Simulation Multi Echelle
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https://hal-upec-upem.archives-ouvertes.fr/hal-01769590
Contributor : Isabelle Navizet <>
Submitted on : Wednesday, April 18, 2018 - 10:59:49 AM
Last modification on : Friday, October 4, 2019 - 1:38:10 AM

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Romain Berraud-Pache, Cristina Garcia-Iriepa, Isabelle Navizet. Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems. Frontiers in Chemistry, Frontiers, 2018, 6, ⟨10.3389/fchem.2018.00116⟩. ⟨hal-01769590⟩

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