John Miller

emsl16 Protein-protein interactions in cellular signaling

Lead Institution

Washington State University Tri-Cities

Principal Investigator

John Miller

Project type

Capability Research

The Virtual Biology Center (VBC) is the component of the Environmental Health Initiative (EHI) focused on the development of modeling techniques for biological systems. LDRD-funded research in the…

First Principles Multiscale Analysis of Biochemical Processes: Signal Transduction and Spectroscopic Analysis of Local Structure-Folding Relations in Membrane Proteins

Lead Institution

University of California, San Diego

Principal Investigator

John Weare

Project type

Capability Research

We propose computational work in two application areas: first principles simulation of posttranslation modification in signal transduction in eukaryote cells and the use of spectroscopic methods to…

MD Simulation of DNA Oligonucleotides Containing Base Damage (fsd4)

Lead Institution

Washington State University Tri-Cities

Principal Investigator

John Miller

Project type

Exploratory Research

Objectiive:This pilot project will investigate the performance of NWChem for simulating the molecular dynamics of double-strand DNA when one of the base pairs in a dodecamer (approximately one turn…

(EMSL31) Computer simulation of single-cell irradiation studies using the PNNL electron microbeam.

Lead Institution

Washington State University Tri-Cities

Principal Investigator

John Miller

Project type

Capability Research

Objective: This project will perform computer simulations related to single-cell irradiation studies using the PNNL electron microbeam facility in the EMSL. These calculations are needed both to…

(gc11-2002)Biomolecular Simulation of Base Excision Repair and Protein Signaling

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

T. Straatsma

Project type

Capability Research

Environmental factors including ionizing radiation contribute to continuous damage of cellular DNA, in addition to endogenous sources. The damage resulting from oxidative stress and ionizing…

Comparative metaproteomics and metametabolomics of the biomass-degrading microbial community that inhabits the cow rumen

Lead Institution

University of California, Davis

Principal Investigator

Matthias Hess

Project type

Large-Scale EMSL Research

Lignocellulosic plant material is one of the most promising sources of sustainable liquid transportation fuels but the recalcitrant nature of the plant cell wall and the cost of biomass-degrading…

Structure and Recognition in Microbial Membranes Proteins, and DNA

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

T. Straatsma

Project type

Capability Research

Developments in simulation methodologies as well as computer hardware have enabled the molecular simulation of biological systems of increasing size and with increasing accuracy, providing molecular…

NMR Structural Studies of Clustered DNA Damage

Lead Institution

Miami University

Principal Investigator

Michael Kennedy

Project type

Capability Research

The primary objective of this research is to characterize the qualitative and quantitative similarities and differences in repair characteristics between clustered damage sites formed by ionizing…

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