Applications of density functional theory-based methods in medicinal chemistry

Quantitative Structure-Activity Relationships

Volumn 21, Issue 2, 2002, Pages 173-181

  Sulpizi, M ^a   Folkers, G ^b   Rothlisberger, U ^b   Carloni, P ^a   Scapozza, L ^b  

^a SISSA   (Italy)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR BIOLOGY;

CASE-STUDIES; DENSITY-FUNCTIONAL-THEORY; DRUG-TARGET INTERACTIONS; FIRST PRINCIPLE METHOD; FUNCTIONAL GENOMICS; GENOMICS/PROTEOMICS; MEDICINAL CHEMISTRY; REPRESENTATIVE CASE; SCORING FUNCTIONS; THERAPEUTIC TARGETS;

DENSITY FUNCTIONAL THEORY;

CASPASE 3; THYMIDINE KINASE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; CHEMISTRY; DEACYLATION; DENSITY FUNCTIONAL THEORY; DRUG SCREENING; HERPES SIMPLEX VIRUS 1; PRIORITY JOURNAL; REACTION ANALYSIS; THEORY;

EID: 0036329246     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200207)21:2<173::AID-QSAR173>3.0.CO;2-B     Document Type: Article

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