Katherine Schultz

Heracles: In Silico Predictive Tools for Opioid Crisis Intervention

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Katherine Schultz

This project aims to develop software tools to identify and prioritize known and potentially emerging pharmaceutical-based agents and new psychoactive substances (NPS, e.g., variants of illicit drugs…

Prediction of soil microbiome phenotypic responses to changing moisture conditions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Jason McDermott

The goal of this project is to attain a systems level understanding of the soil microbiome and its phenotypic response to changing moisture through a tractable, spatially explicit examination of the…

Pacific Northwest Advanced Compound Identification Core

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Thomas Metz

The capability to chemically identify thousands of metabolites and other chemicals in clinical samples will revolutionize the search for environmental, dietary, and metabolic determinants of disease…

Pacific Northwest Advanced Compound Identification Core

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Thomas Metz

The capability to chemically identify thousands of metabolites and other chemicals in clinical samples will revolutionize the search for environmental, dietary, and metabolic determinants of disease…

High-throughput native mass spectrometry as experimental validation for in silico drug design

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mowei Zhou

Enzyme functions can often be modulated via interaction with small molecules. For example, inhibitors are actively sought in the pharmaceutical industry to block protein targets and treat diseases…

EMSL Science Overview

Katherine Schultz

Projects

Heracles: In Silico Predictive Tools for Opioid Crisis Intervention

Prediction of soil microbiome phenotypic responses to changing moisture conditions

Pacific Northwest Advanced Compound Identification Core

Pacific Northwest Advanced Compound Identification Core

High-throughput native mass spectrometry as experimental validation for in silico drug design