Molecular modelling studies of binding of daca derivatives into G-quadruplex DNA: Comparison offorce field and quantum polarized ligand docking methods

International Journal of Pharmacy and Pharmaceutical Sciences

Volumn 4, Issue 1, 2012, Pages 509-514

  Subramanian, Arun Kumar ^a,b   Cardin, Christine J ^b  

^a UNIVERSITY OF READING   (United Kingdom)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

Force field; G quadruplex DNA; Molecular docking; Quantum mechanics; Quantum mechanics molecular mechanics hybrid simulations

Indexed keywords

ACRIDINE DERIVATIVE; DIMETHYL AMINO ETHYL ACRIDINE; DRUG RECEPTOR; GUANINE QUADRUPLEX; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CHROMATOPHORE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG SYNTHESIS; ENERGY TRANSFER; FIXED POINT CHARGE BASED GLIDE XP; HISTOGRAM; HUMAN; HYDROPHOBICITY; INTERMETHOD COMPARISON; LIPOPHILICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; PHYSICAL CHEMISTRY; POLARIZATION; PREDICTIVE VALUE; PROTEIN DNA BINDING; PROTEIN DNA INTERACTION; PROTEIN PROTEIN INTERACTION; QUANTUM MECHANICS; QUANTUM POLARIZED LIGAND DOCKING; SIMULATION; STATIC ELECTRICITY; SURFACE CHARGE; SYNCHROTRON RADIATION; X RAY DIFFRACTION;

EID: 84855501898     PISSN: None     EISSN: 09751491     Source Type: Journal    
DOI: None     Document Type: Article

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