Relative stability of different DNA guanine quadruplex stem topologies derived using large-scale quantum-chemical computations

Journal of the American Chemical Society

Volumn 135, Issue 26, 2013, Pages 9785-9796

  Šponer, Jiří ^a,b   Mládek, Arnošt ^a,b   Špačková, Naďa ^a,b   Cang, Xiaohui ^c   Cheatham, Thomas E ^d   Grimme, Stefan ^e  

^a INSTITUTE OF BIOPHYSICS   (Czech Republic)

^b MASARYK UNIVERSITY   (Czech Republic)

^c Zhejiang University   (China)

^d UNIVERSITY OF UTAH   (United States)

^e UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATE DESCRIPTIONS; ATOMIC-ORBITAL BASIS; CLASSICAL SIMULATION; COMPUTATIONAL STUDIES; CONFORMATIONAL SAMPLINGS; INTRINSIC STABILITY; QUANTUM CHEMICAL COMPUTATIONS; RELATIVE STABILITIES;

CHEMICAL STABILITY; POSITIVE IONS; QUANTUM CHEMISTRY; SOLVENTS;

DNA;

GUANINE QUADRUPLEX; SOLVENT;

ACCURACY; ARTICLE; ENERGY; MOLECULAR MECHANICS; MOLECULAR MODEL; MOLECULAR STABILITY; PREDICTION; QUANTUM CHEMISTRY; SIMULATION; SOLVENT EFFECT;

DNA; G-QUADRUPLEXES; GUANINE; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 84879754496     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja402525c     Document Type: Article

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