Busra Dereli Caglayan

Pacific Northwest National Laboratory

0000-0002-9247-0848

Projects

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…

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

We are requesting EMSL supercomputing resources to tackle the mechanism of electron and proton delivery to dinitrogen (N2) to yield ammonia (NH3) in the Mo-dependent nitrogenase -- biological…

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…