Stacked and H-Bonded Cytosine Dimers. Analysis of the Intermolecular Interaction Energies by Parallel Quantum Chemistry and Polarizable Molecular Mechanics.

Journal of Physical Chemistry B

Volumn 119, Issue 30, 2015, Pages 9477-9495

  Gresh, Nohad ^a,b,c   Sponer, Judit E ^d,e   Devereux, Mike ^f   Gkionis, Konstantinos ^d   De Courcy, Benoit ^a,b,c   Piquemal, Jean Philip ^b,c   Sponer, Jiri ^d,e  

^a CNRS   (France)

^b SORBONNE UNIVERSITÉ   (France)

^c LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^d INSTITUTE OF BIOPHYSICS   (Czech Republic)

^e CENTRAL EUROPEAN INSTITUTE OF TECHNOLOGY   (Czech Republic)

^f UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BIOINFORMATICS; CHEMICAL ANALYSIS; MOLECULAR MECHANICS; NUCLEIC ACIDS; QUANTUM CHEMISTRY;

ATOMISTIC SIMULATIONS; BASE STACKING; EMPIRICAL POTENTIALS; ENERGY CONTRIBUTION; EXPLICIT REPRESENTATION; INTERMOLECULAR INTERACTION ENERGIES; POLARIZABLE MOLECULAR MECHANICS; TOTAL INTERACTION ENERGY;

DIMERS;

CYTOSINE; DNA; MAGNESIUM; WATER;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

CYTOSINE; DIMERIZATION; DNA; HYDROGEN BONDING; MAGNESIUM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 84938242083     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b01695     Document Type: Article

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