Use of surface charges from DFT calculations to predict intestinal absorption

Journal of Chemical Information and Modeling

Volumn 45, Issue 5, 2005, Pages 1337-1342

  Jones, Ron ^a   Connolly, Paul C ^a   Klamt, Andreas ^b   Diedenhofen, Michael ^b  

^a GLAXOSMITHKLINE   (United Kingdom)

^b COSMOlogic GmbHandCoKG ^*  (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION METHODS; DRUG PRODUCTS; MOLECULAR BIOLOGY; PROBABILITY DENSITY FUNCTION; SURFACES;

DATA CLASSIFICATION; DENSITY FUNCTIONAL THEORY (DFT); INTESTINAL ABSORPTION; SURFACE CHARGES;

BIOMEDICAL ENGINEERING;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; DRUG; LAMIVUDINE;

ARTICLE; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; ELECTRICITY; HUMAN; INTESTINE; INTESTINE ABSORPTION; METABOLISM; TRANSPORT AT THE CELLULAR LEVEL;

ANTI-HIV AGENTS; BIOLOGICAL TRANSPORT; DRUG DESIGN; ELECTROSTATICS; HUMANS; INTESTINAL ABSORPTION; INTESTINES; LAMIVUDINE; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS;

EID: 26944488000     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci049653f     Document Type: Article

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