At nonzero temperatures, stacked structures of methylated nucleic acid base pairs and microhydrated nonmethylated nucleic acid base pairs are favored over planar hydrogen-bonded structures: A molecular dynamics simulations study

Chemistry - A European Journal

Volumn 7, Issue 10, 2001, Pages 2067-2074

  Kabeláč, Martin ^a   Hobza, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

AMBER empirical potential; Hydrogen bonds; Molecular dynamics; Nucleobases; Solvent effects; Stacking interactions

Indexed keywords

HYDROGEN BONDS; HYDROPHILICITY; MOLECULAR DYNAMICS; MOLECULES; THERMAL EFFECTS;

STACKED STRUCTURES;

NUCLEIC ACIDS;

NUCLEIC ACID; WATER;

ARTICLE; BASE PAIRING; CHEMICAL STRUCTURE; COMPUTER SIMULATION; CONFORMATION; HYDRATION; HYDROGEN BOND; METHYLATION; MOLECULAR DYNAMICS; TEMPERATURE;

BASE PAIRING; COMPUTER SIMULATION; HYDROGEN BONDING; METHYLATION; MODELS, MOLECULAR; NUCLEIC ACID CONFORMATION; TEMPERATURE; WATER;

EID: 0035906798     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010518)7:10<2067::AID-CHEM2067>3.0.CO;2-S     Document Type: Article

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