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

Romain Berraud-Pache; Cristina Garcia-Iriepa; Isabelle Navizet

doi:10.3389/fchem.2018.00116

Journal articles

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

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

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 : Thursday, March 19, 2020 - 11:52:04 AM

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

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

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