Andrew McNaughton

Pacific Northwest National Laboratory

0000-0002-4146-7921

Projects

Predicting adverse biological effects for chemicals of concern through integration of functional profiling with artificial intelligence/machine learning (AI/ML)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Vivian Lin

We will use thermal proteome profiling (TPP) to identify protein targets and pathways affected by exposure to a chemical of concern (COC). As a next step, we will use an artificial intelligence…

Developing KBase-NWChem workflow for integrating molecular properties with Genome-Scale Metabolic Modeling

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Neeraj Kumar

One of the challenges to investigate natural and engineered biological systems at molecular-level is to accurately predict chemical properties of thousands of metabolites involved in cell metabolism…

COVID-19: Molecular design and analysis to inform small molecule therapeutics related to COVID-19

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…