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Volumn 12, Issue 1, 2005, Pages 280-290

Binding of cationic and neutral phenanthridine intercalators to a DNA oligomer is controlled by dispersion energy: Quantum chemical calculations and molecular mechanics simulations

(4) Kubař, Tomáš a Hanus, Michal a Ryjáček, Filip a Hobza, Pavel a

a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY (Czech Republic)

Author keywords

Ab initio calculations; DNA; Intercalations; Molecular dynamics; Thermodynamics

Indexed keywords

CHARGE TRANSFER; COMPUTER SIMULATION; DNA; FREE ENERGY; INTERCALATION COMPOUNDS; MOLECULAR DYNAMICS; POSITIVE IONS; THERMODYNAMICS;

AB INITIO CALCULATIONS; CATIONIC ETHIDIUM; INTERACTION ENERGY; QUANTUM CHEMICAL CALCULATIONS;

OLIGOMERS;

EID: 84962343677 PISSN: 09476539 EISSN: None Source Type: Journal
DOI: 10.1002/chem.200500725 Document Type: Article

Times cited : (76)

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