William Cannon

Advanced Biomolecular Simulations - Development and Applications

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

T. Straatsma

Project type

Capability Research

This project focuses on two important components of biomolecular modeling and simulation: i) the development of novel molecular modeling capabilities and their efficient parallel implementations, and…

Optimization of peptide identification from tandem mass spectral data

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

William Cannon

Project type

Exploratory Research

Determining the correct sequence of amino acids for a peptide starting with MS/MS spectral data can be stated as an optimization problem where the objective is to match an experimental spectrum with…

(gc3551)Complex Enzymatic Reactions Studied by Molecular Modeling and Electronic Structure Calculations.

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

T. Straatsma

Project type

Capability Research

This proposal concerns the continued development and application of modeling capabilities for the study of complex enzymatic reactions, in particular those that involve electron transfer and/or…

Systems Biology Through an Integrated Multimodal Imaging and Analysis Framework

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

James Evans

Organisms have evolved a number of spatially localized processes to efficiently break down, absorb, and use necessary metabolites. Although progress has been made in identifying the genes that are…

Systems Biology Through an Integrated Multimodal Imaging and Analysis Framework

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

James Evans

Organisms have evolved a number of spatially localized processes to efficiently break down, absorb, and use necessary metabolites. Although progress has been made in identifying the genes that are…

NWBio

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Scott Baker

The goal of "NWBio" project is to leverage computational chemistry and physics methods to develop a new generation of predictive modeling and simulation tools for biology. This project…

Systems Biology Through an Integrated Multimodal Imaging and Analysis Framework

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

James Evans

Organisms have evolved a number of spatially localized processes to efficiently break down, absorb, and use necessary metabolites. Although progress has been made in identifying the genes that are…

Towards a metabolic model of circadian clock control of metabolism in Neurospora crassa.

Lead Institution

Rensselaer Polytechnic Institute

Principal Investigator

Jennifer Hurley

Project type

Large-Scale EMSL Research

Biofuel production using cellulases extracted from fungi has the potential to be a major resource to replace fossil fuels and regulating the synthesis of these and other enzymes is crucial for the…

Unraveling New Pathways for Carbon Capture to Enhance Lipid-Biomass Feedstocks

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

James Evans

Organisms have evolved a number of spatially localized processes to efficiently break down, absorb, and use necessary metabolites. Although progress has been made in identifying the genes that are…

Integrated multi-omic analysis of high lipid accumulation in the oleaginous green microalgae Ostreococcus tauri to engineer metabolic pathways for improved triacylglycerol feedstocks

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

James Evans

Project type

Exploratory Research

Our proposed mutli-omic approach will empower a comprehensive understanding of cellular pathways linking carbon, nitrogen and phosphate metabolism in the microalga Ostreococcus tauri. The use of this…

Towards a metabolic model of circadian clock control of metabolism in Neurospora crassa.

Lead Institution

Rensselaer Polytechnic Institute

Principal Investigator

Jennifer Hurley

Project type

Large-Scale EMSL Research

Biofuel production using cellulases extracted from fungi has the potential to be a major resource to replace fossil fuels and regulating the synthesis of these and other enzymes is crucial for the…

Towards a systems model of circadian control of gene function to regulate metabolic phenotype and cellulase production in Neurospora crassa

Lead Institution

Rensselaer Polytechnic Institute

Principal Investigator

Jennifer Hurley

Project type

Large-Scale EMSL Research

Biofuel production using cellulases extracted from fungi has the potential to be a major resource to replace fossil fuels, and regulating the synthesis of these and other enzymes is crucial for the…

Rhodospirillum rubrum metabolic state during conversion of CO2 to ethylene

Lead Institution

The Ohio State University

Principal Investigator

Justin North

Project type

Exploratory Research

Ethylene (C2H4) is an essential plant hormone and is the chemical building block for nearly all plastics, detergents, and coolants. More ethylene is synthesized than any other industrial compound (…

Bioinformatics Tools to Define the Proteomic State of the Cell

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

William Cannon

Project type

Capability Research

During the next three years we intend to enhance mass spectrometry-based proteomic analysis by building a new generation of tools for peptide identification. The accurate identification of protein…

EMSL Science Overview

William Cannon

Projects

Advanced Biomolecular Simulations - Development and Applications

Optimization of peptide identification from tandem mass spectral data

(gc3551)Complex Enzymatic Reactions Studied by Molecular Modeling and Electronic Structure Calculations.

Systems Biology Through an Integrated Multimodal Imaging and Analysis Framework

Systems Biology Through an Integrated Multimodal Imaging and Analysis Framework

NWBio

Systems Biology Through an Integrated Multimodal Imaging and Analysis Framework

Towards a metabolic model of circadian clock control of metabolism in Neurospora crassa.

Unraveling New Pathways for Carbon Capture to Enhance Lipid-Biomass Feedstocks

Integrated multi-omic analysis of high lipid accumulation in the oleaginous green microalgae Ostreococcus tauri to engineer metabolic pathways for improved triacylglycerol feedstocks

Towards a metabolic model of circadian clock control of metabolism in Neurospora crassa.

Towards a systems model of circadian control of gene function to regulate metabolic phenotype and cellulase production in Neurospora crassa

Rhodospirillum rubrum metabolic state during conversion of CO2 to ethylene

Bioinformatics Tools to Define the Proteomic State of the Cell