Algorithmic Engines in Virtual Screening

Matthias Rarey, Christian Lemmen, and Hans Matter 

For most of the classes, recent review articles can easily be found Molecular docking [6-10], Structural alignments [11, 12], Molecular similarity [13-15], Pharmacophore mapping [16-18]. 

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Rarey M, Lemmen C, Matter H. Algorithmic engines in virtual screening. In Oprea TI, editor, Chemoinformatics in drug discovery (Vol. 23 of Mannhold R, Kubinyi H, Folkers G, editors. Methods and Principles in Medicinal Chemistry). Weinheim Wiley-VCH, 2005. p. 59-115. 

I 4 Algorithmic Engines in Virtual Screening 4.3.1.6 Penalty Terms... 

Rarey, M., Lemmen, C., and Matter, H. Algorithmic engines in virtual screening. In Chemoinformatics in Drug Discovery, Oprea, T.l. (Ed.). Wiley-VCH, Weinheim, 2004, 59-115. 

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