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Compound collection preparation for virtual screening

Compound collection preparation for virtual screening

Methods in Molecular Biology 910: 125-143

Virtual screening is an established technique that has successfully been deployed in the identification of novel biologically active molecules. Whether for ligand-based or for structure-based virtual screening, a chemical collection needs to be properly processed prior to in silico evaluation. Here we describe our step-by-step procedure for handling large collections of compounds prior to virtual screening.

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Accession: 052269016

Download citation: RISBibTeXText

PMID: 22821595

DOI: 10.1007/978-1-61779-965-5_7

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