Molecular docking for virtual screening of natural product databases

Chemical Science Pub Date: 2011-06-20 DOI: 10.1039/C1SC00152C

Abstract

Molecular docking enables the extraordinary structural diversity of natural products to be harnessed in an efficient manner. In this mini-review, we highlight recent examples of the use of molecular docking in virtual screening for the identification of bioactive molecules from natural product databases.

Graphical abstract: Molecular docking for virtual screening of natural product databases
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