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Autor:
Laetitia Chanas-Martin, François Delfaud, Stewart A. Adcock, Marouane Ben Jelloul, Stéphane Richard, Fabrice Moriaud, Jean-Sébastien Surgand
Publikováno v:
Briefings in Bioinformatics. 12:336-340
Predicting off-targets by computational methods is gaining increasing interest in early-stage drug discovery. Here, we present a computational method based on full 3D comparisons of 3D structures. When a similar binding site is detected in the Protei