Environmental Molecular Sciences Laboratory

A DOE Office of Science User Facility

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User Projects

The following is a list of projects that have been active over the past three years.
For a comprehensive list of projects, see All Projects. You can also search for released data.
Lead Institution: University of Colorado Anschutz Medical Campus
Principal Investigator: Rui Zhao
Aberrant pre-mRNA splicing contributes to 10-15 % of genetic disorders, including Spinal Muscular Atrophy (SMA). SMA is a potentially lethal neurodegenerative disorder caused by loss of function mutations or deletions in the gene SMN1. SMN2, a...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Ryan Renslow
In this project we will build the critical tools for an eventual full standards-free (e.g. computation derived identification libraries) and library-free (i.e. de novo) small molecule identification pipeline in biological samples, initially testing...
Lead Institution: Duke University
Principal Investigator: Seok-Yong Lee
The SLC superfamily of membrane transporters play critical roles in many aspects of human physiology and pharmacology. Several SLC transporters play roles in drug transport. Of note, nucleoside transporters are important contributors to nucleoside...
Lead Institution: University of Wisconsin, Madison
Principal Investigator: Paul Ahlquist
SARS-CoV-2, Zika, Dengue, and many other dangerous viruses belong to the positive-strand RNA((+)RNA) viruses. Our group first used cryo-electron tomography (cryo-ET) to reveal the organization of viral RNA and protein components in membrane-bounded...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Ryan Renslow
The gold standard for unequivocal identification of a novel natural product (NP) or other small molecule is structure elucidation by NMR spectroscopy. Although, over 100,000 natural products have been characterized by NMR, most of the data (both...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Vicky Freedman
The primary objective of this project is to deploy and demonstrate how the Akuna software can be used to facilitate efficient modeling and analyses to address costs and benefits of engineering and remediation decisions. The Akuna software provides...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: James Stegen
The PNNL SBR SFA will transform understanding of spatial and temporal dynamics in river corridor hydrobiogeochemistry from reaction to watershed and basin scales, enabling mechanistic representation of river corridor processes and their responses to...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Neeraj Kumar
The multi-laboratory project will apply DOE capabilities to complement resources available in the public and private sector and thereby accelerate discovery of medical therapeutics targeting SARS-COV-2, the virus that causes COVID-19. The National...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Simone Raugei
We propose to use EMSL supercomputing resources to gain a molecular level understanding of the mechanism of the Azotobacter vinelandii Mo-nitrogenase complex (N2ase), the key enzyme for nitrogen reduction to ammonia. Specially, we aim at elucidating...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Simone Raugei
We propose to use EMSL supercomputing resources to gain a molecular level understanding of the catalytic mechanism of the interconversion of H2 into electrons and protons and vice versa at the active site of Clostridium pasteurianum [FeFe]-...

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