MD and NMR analyses of choline and TMA binding to duplex DNA: On the origins of aberrant sequence-dependent stability by alkyl cations in aqueous and water-free solvents

Journal of the American Chemical Society

Volumn 136, Issue 8, 2014, Pages 3075-3086

  Portella, Guillem ^a,e   Germann, Markus W ^c   Hud, Nicholas V ^b   Orozco, Modesto ^a,d  

^a BARCELONA SUPERCOMPUTING CENTER   (Spain)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c GEORGIA STATE UNIVERSITY   (United States)

^d UNIVERSITY OF BARCELONA   (Spain)

^e Department of Chemistry ^*  (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI EARTH METAL; ALKYLAMMONIUM IONS; ENHANCED STABILITY; FREE-ENERGY CALCULATIONS; MOLECULAR DYNAMICS SIMULATIONS; SEQUENCE-DEPENDENT; SEQUENCE-DEPENDENT DNA; WATER-FREE SOLVENTS;

DNA; METAL IONS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POSITIVE IONS; STABILITY;

DNA SEQUENCES;

AMMONIA; CALCIUM; DOUBLE STRANDED DNA; MAGNESIUM; METAL ION; POTASSIUM ION; TETRAMETHYLAMMONIUM; WATER; CHOLINE; DNA; QUATERNARY AMMONIUM DERIVATIVE;

AQUEOUS SOLUTION; ARTICLE; AT RICH SEQUENCE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DNA BASE COMPOSITION; DNA BINDING; GC RICH SEQUENCE; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; CHEMISTRY; CONFORMATION;

CHOLINE; DNA; GC RICH SEQUENCE; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACID CONFORMATION; QUATERNARY AMMONIUM COMPOUNDS;

EID: 84896817753     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja410698u     Document Type: Article

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