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Maureen Kitheka

Institution
Pacific Northwest National Laboratory
ORCID
ORCID logo 0000-0001-5189-6490

Projects

Nitrogen Fixation by Nitrogenase

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
The bacterial catalyst for N2 fixation is a multi-subunit metalloenzyme comprising two electron carrier Fe proteins and the MoFe protein core. This complex catalyzes the reduction of N2 to NH3 and H2…

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
Methane is the second most abundant greenhouse gas after CO2, which accounts for 14% of global greenhouse gas emissions, and it is by far the largest constituent of natural gas deposits. Methyl…

Atomistic Simulations of the Discriminatory Power of Desaturase

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Marcel Baer
Project type
Large-Scale EMSL Research
We propose to use EMSL supercomputing resources to gain a molecular level understanding of how substrate binding, electron, and proton delivery are controlled by the desaturase metalloenzyme…

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
The purpose of the proposal is to computationally characterize the key biochemical and biophysical features of carbon monoxide dehydrogenase (CODH) and acetyl-coenzyme A synthase (ACS) enzymatic…