Molecular dynamics docking driven by NMR-derived restraints to determine the structure of the calicheamicin γ1I oligosaccharide domain complexed to duplex DNA

Magnetic Resonance in Chemistry

Volumn 34, Issue 13, 1996, Pages

  Smith, Jarrod A ^a   Gomez Paloma, Luigi ^a   Case, David A ^a   Chazin, Walter J ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

DNA; DNA recognition; Ligand DNA interactions; NMR solution structure

Indexed keywords

CYTOTOXICITY; DNA; HYDROGEN BONDS; INPUT OUTPUT PROGRAMS; MOLECULAR DYNAMICS; OLIGOSACCHARIDES;

CALICHEAMICIN; CONFORMATIONAL SPACE; DNA INTERACTION; DNA RECOGNITION; DUPLEX DNA; INPUT DATAS; LIGAND-DNA INTERACTION; NATURAL PRODUCTS; NMR SOLUTION STRUCTURE; SOLUTION STRUCTURES;

LIGANDS;

EID: 0030354037     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-458x(199612)34:133.0.co;2-0     Document Type: Article

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