Wibke Sudholt

University of California, San Diego

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…

(emsl2471)Development and Analysis of the Hybrid Quantum Mechanics-Molecular Mechanics Approach in NWChem - Why Catalytic Antibodies Cannot Achieve the Level of Catalysis of Enzymes?

Lead Institution

University of California, San Diego

Principal Investigator

Kim Baldridge

Project type

Capability Research

To deepen our understanding of natural and synthetical processes and to support current experimental progress, there is an increasing need for affordable theoretical calculation of chemical reactions…