Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer

Journal Article · Mon Oct 24 00:00:00 EDT 2016 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.6b02168· OSTI ID:1534702

Mendieta-Moreno, Jesús I. ^[1]; Trabada, Daniel G. ^[2]; Mendieta, Jesús ^[3]; Lewis, James P. ^[4]; Gómez-Puertas, Paulino ^[5]; Ortega, José ^[2]

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1. Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, ES-28049 Madrid, Spain; Molecular Modelling Group, Center of Molecular Biology Severo Ochoa (CSIC-UAM), ES-28049 Madrid, Spain
2. Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, ES-28049 Madrid, Spain
3. Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, ES-28049 Madrid, Spain; Molecular Modelling Group, Center of Molecular Biology Severo Ochoa (CSIC-UAM), ES-28049 Madrid, Spain; Departamento de Biotecnología, Universidad Francisco de Vitoria, ctra. Pozuelo-Majadahonda, km 1,800, 28223 Pozuelo de Alarcón, Madrid, Spain
4. Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315, United States
5. Molecular Modelling Group, Center of Molecular Biology Severo Ochoa (CSIC-UAM), ES-28049 Madrid, Spain

Not provided.

• Research Organization: West Virginia Univ., Morgantown, WV (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: SC0004737
• OSTI ID: 1534702
• Journal Information: Journal of Physical Chemistry Letters, Vol. 7, Issue 21; ISSN 1948-7185
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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