Fast approximate methods for calculating nucleic acid base pair interaction energies

Journal of Computational Chemistry

Volumn 24, Issue 1, 2003, Pages 57-67

  Sherer, Edward C ^a   York, Darrin M ^a   Cramer, Christopher J ^a  

^a University of Minnesota ^*  (United States)

Author keywords

Base pair; Base trimer; Hybrid density functional; Hydrogen bond; Nucleic acid; Parameterization; Semiempirical theory

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; ENTHALPY; HAMILTONIANS; HYDROGEN BONDS; MASS SPECTROMETRY; PROBABILITY DENSITY FUNCTION;

BASE PAIR INTERACTION ENERGIES; ELECTRONIC STRUCTURE THEORY; HYBRID HARTREE-FOCK DENSITY FUNCTIONAL; INTERACTION ENTHALPIES; PENTAMER; TETRAMERS; TRIMERS;

NUCLEIC ACIDS;

NUCLEIC ACID;

ALGORITHM; ARTICLE; BASE PAIRING; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; HYDROGEN BOND; NUCLEOTIDE SEQUENCE;

ALGORITHMS; BASE PAIRING; BASE SEQUENCE; COMPUTATIONAL BIOLOGY; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NUCLEIC ACIDS;

EID: 0037439855     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10150     Document Type: Article

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