Molecular docking for virtual screening of natural product databases

Edmond Dik Lung MA*, Daniel Shiu Hin Chan, Chung Hang Leung

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

137 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)1656-1665
Number of pages10
JournalChemical Science
Issue number9
Publication statusPublished - Sept 2011

Scopus Subject Areas

  • Chemistry(all)


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