Potential energy surfaces of the microhydrated guanine⋯Cytosine base pair and its methylated analogue

ChemPhysChem

Volumn 7, Issue 2, 2006, Pages 439-447

  Zendlová, Lucie ^a   Hobza, Pavel ^a   Kabeláč, Martin ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

Ab initio calculations; Hydrogen bonds; Nucleobases; Solvent effects; Stacking Interactions

Indexed keywords

BINDING SITES; CALCULATIONS; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; NUCLEIC ACIDS; POSITIVE IONS; QUANTUM CHEMISTRY; SOLVENTS;

AB INITIO APPROACH; AB INITIO CALCULATIONS; FREE ENERGY SURFACE; GUANINE CYTOSINES; NUCLEIC ACID BASE PAIRS; NUCLEOBASES; SOLVENT EFFECTS; STACKING INTERACTION;

POTENTIAL ENERGY;

EID: 32944466590     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200500311     Document Type: Article

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