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Erich Vorpagel

Institution
Environmental Molecular Sciences Laboratory

Projects

FRET-Based Molecular Dynamics Simulation of Membrane-Receptor Activation

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Galya Orr
Project type
Large-Scale EMSL Research
This proposal is a continuation of research pursued under EMSL User Proposals #6494 and #6493. Membrane receptors are activated upon the binding of small ligand molecules to specific sites in their…

(emsl2566)Ionization Energy Calculations of Deoxyribonucleotides

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Erich Vorpagel
Project type
Capability Research
Gas-phase electron binding energies for 2'-deoxyribonucleoties have been measured using photodetachment photoelectron spectroscopy and electrospray ionization. Ion mobility experiments indicate…

Electronic Transfer Calculations for the Hemes of Flavocytochrome c3

Lead Institution
Intel Corporation
Principal Investigator
Dayle Smith
Project type
Exploratory Research
As part of the DOE Office of Science Program Notice 01-21 for Advanced Modeling and Simulation of Biological Systems, we have received funding for development of new large-scale electron transfer…

Run ScalaBLAST on Proteomics Datasets

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Erich Vorpagel
This project is in support of the on going research within EMSL. As part of that support, MSCF computer time is being made available on an as-needed basis. The ultimate goal of high-throughput…

Image for March 2003 issue of Resource Magazine

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Michael Perkins
Project type
Exploratory Research
Need to create an interesting image for the cover art to go with the feature article on bioproducts in the corn industry.

Introduction to Parallel Computing Course

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Kevin Glass
Parallel computing is growing in importance in both the scientific and commercial computing worlds. Part of this growth can be attributed to changes in computer architecture such as multicore…

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…

(EMSL34)Parameter Development and Initial MD Simulation of Flavocytochrome Ifc3

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Erich Vorpagel
Project type
Capability Research
As part of the DOE Office of Science Program Notice 01-21 for Advanced Modeling and Simulation of Biological Systems, we have received funding for development of new modeling capabilities for the…