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InterLig: Improved ligand-based virtual screening using topologically-independent structural alignments.

07:00 EST 12th February 2020 | BioPortfolio

Summary of "InterLig: Improved ligand-based virtual screening using topologically-independent structural alignments."

In the past few years, drug discovery processes have been relying more and more on computational methods to sift out the most promising molecules before time and resources are spent to test them in experimental settings. Whenever the protein target of a given disease is not known, it becomes fundamental to have accurate methods for ligand-based Virtual Screening, which compare known active molecules against vast libraries of candidate compounds. Recently, 3D-based similarity methods have been developed that are capable of scaffold-hopping and to superimpose matching molecules.

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Name: Bioinformatics (Oxford, England)
ISSN: 1367-4811
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