Simone Raugei
Institution
Pacific Northwest National Laboratory
ORCID
Projects
Understanding structure-function relationship in enzymes by designing artificial enzymes
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Bojana Ginovska
Project type
Large-Scale EMSL Research
Exploring gas migration and diffusion pathways in CODH/ACS using molecular simulations
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
Nitrogen Fixation by Nitrogenase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
Computational Mechanistic Studies of Methyl-coenzyme M Reductase Enzyme
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Bojana Ginovska
Project type
Large-Scale EMSL Research
Understanding Product Selectivity of Monoterpene Synthases Using Atomistic Simulations
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Hoshin Kim
Project type
Large-Scale EMSL Research
Atomistic Simulations of the Discriminatory Power of Desaturase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Marcel Baer
Project type
Large-Scale EMSL Research
Multi-scale investigation of the nitrogen fixation mechanism of Mo-dependent nitrogenase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
Atomistic simulations of the nitrogen fixation by Mo-dependent nitrogenase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
Bio-Inspired Homogeneous Catalysts for Energy Storage and Production
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Molly O'Hagan
Project type
Large-Scale EMSL Research
Computational characterization of FeFe-Hydrogenase catalytic species
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Discriminatory power of the Binuclear Non-Heme Iron Active Site of delta-9 Desaturase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Computational modeling to design electrocatalysts for energy storage production
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Atomistic Simulations of the Discriminatory Power of Desaturase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Marcel Baer
Computational modeling to design electrocatalysts for energy storage production
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Electron Transfer of Nitrogenase Complex
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Understanding the Catalytic Mechanism of Monoterpene Synthases using Atomistic Simulations
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes
Lead Institution
University of Alabama
Principal Investigator
David Dixon
Project type
Capability Research
Computational modeling to design electrocatalysts for energy storage production
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Ab initio molecular dynamics study of the hydrogen oxidation mechanism by Ni-based catalysts
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Exploratory Research
Understanding Active Site Chemistry of Monoterpene Synthases
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Bioinspired electrocatalysts for small molecule activation.
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Wendy Shaw
Project type
Exploratory Research
Computational characterization of FeFe-Hydrogenase catalytic species
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Bioinspired Electrocatalysts for Energy Storage and Production Reactions.
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Wendy Shaw
Project type
Exploratory Research
Electron Transfer of Nitrogenase Complex
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Understanding structure-function relationships for developing catalysts for energy storage and production reactions.
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Wendy Shaw
Project type
Large-Scale EMSL Research
Dinitrogen Activation and Electron and Proton Delivery in the Nitrogenase Complex
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
Bioinspired Homogeneous and Surface-confined Catalysts for Energy Storage and Production Reactions
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Molly O'Hagan
Project type
Large-Scale EMSL Research
CO2 activation and conversion by the CODH/ACS enzymatic complex
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research