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  • The comparison of docking search algorithms and scoring functions [Elektronski vir] : an overview and case studies
    Novič, Marjana ...
    This chapter, composed of two parts, firstly provides molecular docking overview and secondly two molecular docking case studies are described. In overview, basic information about molecular docking ... are presented such as description of search algorithms and scoring functions applied in various dock - ing programs. Brief description of methods utilized in some of the most popular docking programs also applied in our experimental work is provided. AutoDock, CDOCKER, GOLD, FlexX and FRED were used for docking studies of the DC-SIGN protein, while GOLD was further used for docking studies of cathepsin K protein. Methods and results of our studies with their contribution to science and medicine are presented. Content of the chapter is therefore appropriate for public of Medicinal and Organic Chemistry as an overview of docking studies, and also for Computational Chemists at the beginning of their work as the introduction to application of molecular docking programs.
    Source: Methods and algorithms for molecular docking-based drug design and discovery [Elektronski vir] (Str. 99-127)
    Type of material - e-article
    Publish date - 2016
    Language - english
    COBISS.SI-ID - 4080241

    Link(s):

    http://www.igi-global.com/viewtitlesample.aspx?id=151884&ptid=142134&t=the%20comparison%20of%20docking%20search%20algorithms%20and%20scoring%20functions:%20an%20overview%20and%20case%20studies
    DOI

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