Molecular evaluation using in silico protein interaction profiles | Zendy

Yoshiharu Hayashi | Zendy; K. Sakaguchi | Zendy; Mime Kobayashi | Zendy; Masaki Kobayashi | Zendy; Yo Kikuchi | Zendy; Eiichiro Ichiishi | Zendy

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Molecular evaluation using in silico protein interaction profiles

Author(s) -

Yoshiharu Hayashi,

K. Sakaguchi,

Mime Kobayashi,

Masaki Kobayashi,

Yo Kikuchi,

Eiichiro Ichiishi

Publication year - 2003

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btg189

Subject(s) - autodock , in silico , docking (animal) , computer science , computational biology , quantitative structure–activity relationship , small molecule , molecular descriptor , drug discovery , data mining , chemistry , biological system , bioinformatics , machine learning , biology , biochemistry , medicine , nursing , gene

To find a correlation between the activities and structures of molecules is one of the most important subjects for molecular evaluation study. Traditional quantitative structure-activity relationship (QSAR) methodologies represent those attempts using physicochemical descriptors. Creating a new molecular description factor based on the results of a computational docking study will add new dimensions to molecular evaluation.

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