Multiscale QM/MM Molecular Dynamics Study on the First Steps of Guanine Damage by Free Hydroxyl Radicals in Solution

Author:

Abolfath Ramin M.12,Biswas P. K.34,Rajnarayanam R.5,Brabec Thomas2,Kodym Reinhard6,Papiez Lech7

Affiliation:

1. School of Natural Sciences and Mathematics, University of Texas at Dallas, Richardson, Texas 75080, United States

2. Physics Department, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada

3. Department of Physics, Tougaloo College, Tougaloo, Mississippi 39174, United States

4. Laboratory of Computational Biology, NHLBI, National Institutes of Health, Rockville, Maryland 20894, United States

5. Department of Pharmacology, University of Buffalo, Buffalo, New York 14260, United States

6. Department of Radiation Oncology, University of Texas, Southwestern Medical Center, Dallas, Texas 75390, United States

7. Indiana University Cyclotron Facility, Bloomington, Indiana 47408, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

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