Docking on the DNA G-quadruplex: A molecular electrostatic potential study

Biopolymers

Volumn 95, Issue 9, 2011, Pages 641-650

  Mondragónchez, Juan Antonio ^a   Santamaria, Ruben ^a   Garduño Juárez, Ramõn ^b  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

Author keywords

DNA; G quadruplex; molecular electrostatic potential; reactivity

Indexed keywords

ACTIVE ZONE; ANTICANCER DRUG; DISPERSION EFFECT; DNA DUPLEXES; DRUG DESIGN; DUPLEX DNA; FRONTIER MOLECULAR ORBITALS; FRONTIER ORBITALS; FUNCTIONALS; G-QUADRUPLEXES; MOLECULAR ELECTROSTATIC POTENTIALS; NEGATIVE VALUES; NUCLEIC ACID STRUCTURE; PHYSICAL QUANTITIES; QUADRUPLEX STRUCTURES; TELOMERASE; TOPOLOGICAL DEFORMATION;

CARRIER CONCENTRATION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DNA; ELECTRON DENSITY MEASUREMENT; ELECTROSTATICS; MOLECULAR INTERACTIONS; MOLECULAR ORBITALS;

DNA SEQUENCES;

DAUNORUBICIN; DOUBLE STRANDED DNA; GUANINE QUADRUPLEX; NUCLEIC ACID;

ARTICLE; DENSITY FUNCTIONAL THEORY; DISPERSION; DNA CONFORMATION; DNA STRUCTURE; DRUG DESIGN; DRUG TARGETING; MOLECULAR DOCKING; MOLECULAR INTERACTION; STATIC ELECTRICITY;

ANTINEOPLASTIC AGENTS; DAUNORUBICIN; DNA; ELECTRONS; G-QUADRUPLEXES; HUMANS; LIGANDS; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; NUCLEIC ACID CONFORMATION; STATIC ELECTRICITY; TELOMERE;

EID: 79959723259     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21634     Document Type: Article

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