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AutoGPA: An Automated 3D-QSAR Method Based on Pharmacophore Alignment and Grid Potential Analysis

3D-QSAR approach has been widely applied and proven to be useful in the case where no reliable crystal structure of the complex between a biologically active molecule and the receptor is available. At the same time, however, it also has highlighted the sensitivity of this approach. The main requirem...

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Detalhes bibliográficos
Main Authors: Asakawa, Naoyuki, Kobayashi, Seiichi, Goto, Junichi, Hirayama, Noriaki
Formato: Artigo
Idioma:Inglês
Publicado em: Hindawi Publishing Corporation 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4207448/
https://ncbi.nlm.nih.gov/pubmed/25405031
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2012/498931
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