Calculation of the electrostatic charges and energies for intercalation of aromatic drug molecules with DNA

International Journal of Quantum Chemistry

Volumn 111, Issue 3, 2011, Pages 711-721

  Kostjukov, V V ^a   Khomytova, N M ^a   Hernandez Santiago, A A ^b   Licona Ibarra, R ^b   Davies, D B ^c   Evstigneev, M P ^a  

^a SEVASTOPOL STATE UNIVERSITY   (Russian Federation)

^b BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

^c UNIVERSITY OF LONDON   (United Kingdom)

Author keywords

atomic charges; DNA intercalators; electrostatic energy

Indexed keywords

ATOMIC CHARGE; BASIS SETS; CHARGE MODELS; CHARGE STATE; DIFFERENT STRUCTURE; DRUG MOLECULES; ELECTROSTATIC CHARGES; ELECTROSTATIC ENERGIES; ELECTROSTATIC ENERGY; ENERGY CALCULATION; FORCE FIELDS; NATURAL POPULATION ANALYSIS; SEMI-EMPIRICAL METHODS;

AROMATIC COMPOUNDS; AROMATIZATION; ATOMS; DNA;

ELECTROSTATICS;

EID: 78649805289     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22451     Document Type: Article

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