Prediction of drug permeability based on Grid calculations

Quantitative Structure-Activity Relationships

Volumn 18, Issue 5, 1999, Pages 474-481

  Segarra, V ^a   Lopez M ^a   Ryder, H ^a   Palacios, J M ^a  

^a Almirall Prodesfarma Research Centre ^*  (Spain)

Author keywords

Drug permeability; GRID; Hydrogen bond; Molecular dynamics; Water surface

Indexed keywords

ELECTRONIC PROPERTIES; MOLECULAR DYNAMICS; PROBES; WATER ABSORPTION;

BONDING CAPACITY; DRUG ABSORPTION; DRUG PERMEABILITIES; GRID; HYDROGEN BOND ACCEPTORS; HYDROGEN BOND DONORS; MODEL COMPOUND; WATER PROBES; WATER SURFACE; [CARBONYL;

HYDROGEN BONDS;

AMIDE;

ARTICLE; CALCULATION; COMPUTER PROGRAM; DRUG ABSORPTION; DRUG PENETRATION; HYDROGEN BOND; MOLECULAR DYNAMICS; PREDICTION; PRIORITY JOURNAL;

EID: 0345103198     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3838(199911)18:5<474::AID-QSAR474>3.0.CO;2-N     Document Type: Article

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