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Sebastian Raschka 07/22/2014

Literature overview and summaries

My summarized thoughts for a quick overview about various articles related to protein science.

Categories



Protein-ligand docking and virtual screening

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Virtual Ligand Screening: Strategies, Perspectives and Limitations

A review about the current state of virtual screening (VS) approaches and software. The author provides a thorough discussion of advantages of VS, contrasts it to the alternative hight-throughput screening, and is largely focussed on the current shortcomings of VS.
It is a nice review paper written in a rather general and introductory tone, which makes it especially worthwhile for people who are new to the field of computer-aided screening techniques.

  • Klebe, Gerhard. 2006. “Virtual Ligand Screening: Strategies, Perspectives and Limitations.” Drug Discovery Today 11 (13-14): 580–94. doi:10.1016/j.drudis.2006.05.012.

  • Link to article



Essential considerations for using protein–ligand structures in drug discovery

A discussion of the assessment of x-ray crystallographic protein structures and criteria for the development of the Iridium database of high-quality protein structures.

  • Warren, G.L., Do, T.D., Kelley, B.P., Nicholls, A. and Warren, S.D. (2012), “Essential considerations for using protein–ligand structures in drug discovery”, Drug Discovery Today, Vol. 17 No. 23-24, pp. 1270–1281.

  • Link to article