Simulated dipeptide recognition by vancomycin

Journal of Molecular Recognition

Volumn 10, Issue 2, 1997, Pages 73-87

  Li, Daohui ^a   Sreenivasan, Uma ^b   Juranic, Nenad ^b   Macura, Slobodan ^b   Puga II, Francisco J ^b   Frohnert, Paul M ^b   Axelsen, Paul H ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b MAYO GRADUATE SCHOOL   (United States)

Author keywords

2D NMR; Computer assisted drug design; Free energy perturbation; Glycopeptide antibiotics; Molecular dynamics simulation; Molecular recognition; Simulated annealing

Indexed keywords

ANTIINFECTIVE AGENT; LIGAND; PEPTIDE; VANCOMYCIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; METABOLISM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ANTI-BACTERIAL AGENTS; COMPUTER-AIDED DESIGN; DRUG DESIGN; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PEPTIDES; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; VANCOMYCIN;

BACTERIA (MICROORGANISMS);

EID: 0031103380     PISSN: 09523499     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-1352(199703/04)10:2<73::AID-JMR347>3.0.CO;2-1     Document Type: Article

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