Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 10, 2010, Pages 803-817

  Salum, Lívia Barros ^a   Valadares, Napoleão Fonseca ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

3D QSAR; Alzheimer; BACE 1; CoMFA; Fragment based

Indexed keywords

COMPUTATIONAL CHEMISTRY; DISEASE CONTROL;

3D-QSAR; ALZHEIMER; ALZHEIMERS DISEASE; BACE-1; COMFA; CRYSTALS STRUCTURES; FRAGMENT-BASED; GLAXO SMITHKLINE; PARTIAL CHARGES; STRUCTURAL INFORMATION;

NEURODEGENERATIVE DISEASES;

BETA SECRETASE 1; BETA SECRETASE 1 INHIBITOR; ENZYME INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPUTER AIDED DESIGN; CRYSTAL STRUCTURE; DRUG POTENCY; DRUG SCREENING; DRUG STRUCTURE; DRUG TARGETING; IC 50; INFORMATION PROCESSING; INTERMETHOD COMPARISON; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

EID: 77956875483     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9375-z     Document Type: Article

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