Force field parameters for rotation around χ torsion axis in nucleic acids

Journal of Computational Chemistry

Volumn 29, Issue 15, 2008, Pages 2531-2542

  Ode, Hirotaka ^a   Matsuo, Yuri ^a   Neya, Saburo ^a   Hoshino, Tyuji ^a,b  

^a CHIBA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

torsion angle; AMBER force field; Energy surface; Molecular dynamics simulation; Nucleic acid

Indexed keywords

BIOMOLECULES; DISCRETE FOURIER TRANSFORMS; FOURIER ANALYSIS; FOURIER TRANSFORMS; MOLECULAR DYNAMICS; NUCLEIC ACIDS; QUANTUM CHEMISTRY; ROTATION; TORSIONAL STRESS; VIBRATIONS (MECHANICAL);

ACCURATE SIMULATIONS; AMBER FORCE FIELD; AXIS ROTATIONS; CHEMICAL STRUCTURES; DISCRETE FOURIER TRANSFORMATIONS; ENERGY PROFILES; ENERGY SURFACE; ENERGY SURFACES; FORCE FIELD PARAMETERS; FORCE FIELDS; MD SIMULATIONS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR MECHANICALS; QM CALCULATIONS; QUANTUM MECHANICALS; TORSION PARAMETERS;

DYNAMICS;

NUCLEIC ACID;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; NUCLEIC ACID CONFORMATION; NUCLEIC ACIDS; QUANTUM THEORY; THERMODYNAMICS;

EID: 55349142511     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21006     Document Type: Article

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