Tomaso Frigato

Max Planck Institute of Biophysics

Projects

(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…

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…

(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…