Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.

Researchers use machine learning to speed up the analysis of aerosol datasets from mass spectrometry.

A novel ecological measurement uncovered interactions between river corridor organic matter assemblages and microbial communities, highlighting potentially important microbial taxa and molecular formula types.

PNNL scientists have developed a new mass spectrometry method for in-depth analysis of proteins in individual cells.

Researchers from the Environmental Molecular Sciences Laboratory are collecting soil cores as part of the 1000 Soils Research Pilot to develop a database of molecular-level data from belowground ecosystems.

New data analysis approach gives researchers deeper understanding of microbial ecology and evolution.

The paper was recognized by the Society of Toxicology’s Medical Device and Combination Product Specialty Section.

Data from increasingly complex mass spectrometry instruments met with adaptable data analysis solution.

Proteomics revealed molecular mechanisms by which the drug Verapamil could prolong beta cell function in early-onset type 1 diabetes patients.

Measurements of forest after an anomalous seawater exposure event reveals carbon starvation as dominant process underlying deaths.

Focused research studies of advanced algorithms and materials are setting the stage for the next generation of quantum computers.

Quantum simulators help navigate noise on GPU-based HPC systems.

Study highlights microbiome’s role in regulating xenobiotic metabolism.

Soil pores are reorganized when newly thawed permafrost soils experience freeze-thaw cycling.

Mowei Zhou, a chemist with the Environmental Molecular Sciences Laboratory, is speaking at the ACS spring conference on his latest protein discoveries for a plant that could transform biofuels production.

Development of a one-meter path length miniature ion mobility spectrometer based on multilevel structures for lossless ion manipulations.

PNNL Chief Scientist for Computing Jim Ang will be part of a DOE Office of Science virtual discussion regarding industry collaborations on AI hardware.

Governor Inslee announced the appointment of Karin Rodland to the Board of Directors of the Andy Hill Cancer Research Endowment Fund.

Study reveals importance of accounting for micrometer scale distribution of substrates to predict carbon emissions from soil.

Four research staff from PNNL are part of an international team that earned top honors for a journal paper focused on a new algorithm-evaluation approach for buildings.