A simple procedure for the derivation of electron density based surfaces of drug-receptor complexes from a combination of X-ray data and theoretical calculations

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 16, 2010, Pages 5965-5974

  Mebs, Stefan ^a   Lüth, Anja ^b   Luger, Peter ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Biological recognition; Electron density; Electrostatic potential; Molecular surfaces

Indexed keywords

EPIDERMAL GROWTH FACTOR RECEPTOR; GEFITINIB; PROGESTERONE RECEPTOR;

ARTICLE; CRYSTAL STRUCTURE; DRUG MECHANISM; DRUG RECEPTOR BINDING; ELECTRON; HYDROGEN BOND; QUANTITATIVE ANALYSIS; STATIC ELECTRICITY; STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY; THEORETICAL MODEL; X RAY ANALYSIS;

ANTINEOPLASTIC AGENTS; CORONAVIRUS; CRYSTALLOGRAPHY, X-RAY; CYSTEINE ENDOPEPTIDASES; ELECTRONS; HUMANS; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; QUINAZOLINES; RECEPTOR, EPIDERMAL GROWTH FACTOR; VIRAL PROTEINS;

SARS CORONAVIRUS;

EID: 77955469629     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.06.080     Document Type: Article

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