Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
抄録
<jats:p>Accelerating the drug discovery process requires predictive computational protocols capable of reducing or simplifying the synthetic and/or combinatorial challenge. Docking‐based virtual screening methods have been developed and successfully applied to a number of pharmaceutical targets. In this review, we first present the current status of docking and scoring methods, with exhaustive lists of these. We next discuss reported comparative studies, outlining criteria for their interpretation. In the final section, we describe some of the remaining developments that would potentially lead to a universally applicable docking/scoring method.</jats:p><jats:p><jats:italic>British Journal of Pharmacology</jats:italic> (2008) <jats:bold>153</jats:bold>, S7–S26; doi:<jats:ext-link xmlns:xlink="http://www.w3.org/1999/xlink" ext-link-type="doi" xlink:href="10.1038/sj.bjp.0707515">10.1038/sj.bjp.0707515</jats:ext-link>; published online 26 November 2007</jats:p>
収録刊行物
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- British Journal of Pharmacology
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British Journal of Pharmacology 153 (S1), 2008-03
Wiley