Computational modeling of cytochrome P450-mediated drug metabolism

Computational modeling of cytochrome P450-mediated drug metabolism

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The main objective of this study was the development of QSAR models for drug metabolism-related properties. Novel GALAS (Global, Adjusted Locally According to Similarity) modeling method was used, which is a combination of baseline global QSAR model and local similarity based corrections. GALAS mode...

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Bibliographic Details
Main Author: Dapkūnas, Justas
Other Authors: Kirvelienė, Vida
Format: Doctoral Thesis
Language:English
Published: Lithuanian Academic Libraries Network (LABT) 2011
Subjects:
Biochemistry
Cytochrome P450
QSAR
CYP3A4 inhibition
Drug metabolism
Regioselectivity prediction
Citochromai P450
CYP3A4 slopinimas
Vaistų metabolizmas
Regioselektyvumo prognozavimas
Online Access:http://vddb.laba.lt/fedora/get/LT-eLABa-0001:E.02~2011~D_20111003_114651-54627/DS.005.1.01.ETD

Internet

http://vddb.laba.lt/fedora/get/LT-eLABa-0001:E.02~2011~D_20111003_114651-54627/DS.005.1.01.ETD

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