Impact of geometry optimization on base-base stacking interaction energies in the canonical A- and B-forms of DNA

Journal of Physical Chemistry A

Volumn 117, Issue 7, 2013, Pages 1560-1568

  McDonald, Ashley Ringer ^a,b   Denning, Elizabeth J ^a   Mackerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^b CALIFORNIA POLYTECHNIC STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CONSTRAINED OPTIMIZATION; DEGREES OF FREEDOM (MECHANICS); GEOMETRY; MOLECULAR MODELING; MONOMERS; QUANTUM THEORY;

AB INITIO QUANTUM MECHANICAL METHODS; BASE MONOMERS; BASE-STACKING; ENERGY CALCULATION; FULL OPTIMIZATION; GEOMETRY OPTIMIZATION; MODEL CHEMISTRY; STACKING ENERGY; STACKING INTERACTION ENERGIES; STACKINGS;

NUCLEIC ACIDS;

EID: 84874177794     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp308364d     Document Type: Article

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