Understanding the Interaction between Low-Energy Electrons and DNA Nucleotides in Aqueous Solution

Journal of Physical Chemistry Letters

Volumn 6, Issue 15, 2015, Pages 3091-3097

  McAllister, Maeve ^a   Smyth, Maeve ^a   Gu, Bin ^a,b   Tribello, Gareth A ^a   Kohanoff, Jorge ^a  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b NANJING UNIVERSITY OF INFORMATION SCIENCE AND TECHNOLOGY   (China)

Author keywords

computer simulation; DFT; DNA damage; free energy

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DNA; ELECTRONS; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; NUCLEOTIDES; RADIATION DAMAGE; REACTION KINETICS; SOLUTIONS;

AQUEOUS ENVIRONMENT; DAMAGE MECHANISM; DFT; DNA DAMAGES; DNA NUCLEOTIDES; LOW ENERGY ELECTRONS; SINGLE NUCLEOTIDES; WATER MOLECULE;

BIOINFORMATICS;

DNA; NUCLEOTIDE; WATER;

CHEMISTRY; DNA DAMAGE; HYDROGEN BOND; MOLECULAR DYNAMICS; RADIATION RESPONSE; THERMODYNAMICS;

DNA; DNA DAMAGE; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; NUCLEOTIDES; THERMODYNAMICS; WATER;

EID: 84938677795     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01011     Document Type: Article

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