Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of base pairs

Journal of Computational Chemistry

Volumn 34, Issue 28, 2013, Pages 2403-2411

  Daido, Masashi ^a   Kawashima, Yukio ^a   Tachikawa, Masanori ^a  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

Author keywords

hybrid Monte Carlo; nuclear quantum effect; path integral simulation; semiempirical PM6 DH+ method; temperature dependency; Watson Crick type base pair

Indexed keywords

BASE PAIRS; HYBRID MONTE CARLO; NUCLEAR QUANTUM EFFECTS; PATH-INTEGRAL SIMULATION; SEMI-EMPIRICAL; TEMPERATURE DEPENDENCIES;

HYDROGEN BONDS; PRINCIPAL COMPONENT ANALYSIS; PROPELLERS; PROTONS; QUANTUM ELECTRONICS;

MONTE CARLO METHODS;

ADENINE; GUANINE; THYMINE;

ARTICLE; BASE PAIRING; CHEMISTRY; CONFORMATION; HYBRID MONTE CARLO; HYDROGEN BOND; MONTE CARLO METHOD; NUCLEAR QUANTUM EFFECT; PATH INTEGRAL SIMULATION; QUANTUM THEORY; SEMIEMPIRICAL PM6-DH+ METHOD; TEMPERATURE; TEMPERATURE DEPENDENCY; WATSON-CRICK-TYPE BASE PAIR;

HYBRID MONTE CARLO; NUCLEAR QUANTUM EFFECT; PATH INTEGRAL SIMULATION; SEMIEMPIRICAL PM6-DH+ METHOD; TEMPERATURE DEPENDENCY; WATSON-CRICK-TYPE BASE PAIR;

ADENINE; BASE PAIRING; GUANINE; HYDROGEN BONDING; MONTE CARLO METHOD; NUCLEIC ACID CONFORMATION; QUANTUM THEORY; TEMPERATURE; THYMINE;

EID: 84884905707     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23399     Document Type: Article

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