Molecular insights into 14-membered macrolides using the MM-PBSA method

Journal of Chemical Information and Modeling

Volumn 49, Issue 6, 2009, Pages 1558-1567

  Yam, Wai Keat ^a   Wahab, Habibah A ^a,b  

^a SCHOOL OF PHARMACEUTICAL SCIENCES   (Malaysia)

^b Environment and Climate Change   (Malaysia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBIOTICS; FREE ENERGY; MOLECULAR DYNAMICS; VAN DER WAALS FORCES;

BINDING FREE ENERGY; ELECTROSTATIC CONTRIBUTIONS; EXPERIMENTAL VALUES; MACROLIDE ANTIBIOTICS; MECHANISM OF ACTION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM; POISSON BOLTZMANN SURFACE AREAS (PBSA);

BINDING ENERGY;

ANTIINFECTIVE AGENT; ERYTHROMYCIN; MACROLIDE; ROXITHROMYCIN; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; LARGE RIBOSOMAL SUBUNIT; METABOLISM; SOLUTION AND SOLUBILITY; STATIC ELECTRICITY; SURFACE PROPERTY; THERMODYNAMICS;

ANTI-BACTERIAL AGENTS; ERYTHROMYCIN; HYDROGEN BONDING; MACROLIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; RIBOSOME SUBUNITS, LARGE, BACTERIAL; ROXITHROMYCIN; SOLUTIONS; STATIC ELECTRICITY; SURFACE PROPERTIES; THERMODYNAMICS; WATER;

EID: 67650035452     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8003495     Document Type: Article

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