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    Article

    Fine tuning for success in structure-based virtual screening

    Structure-based virtual screening plays a significant role in drug-discovery. The method virtually docks millions of compounds from corporate or public libraries into a binding site of a disease-related protei...

    Emilie Pihan, Martin Kotev, Obdulia Rabal… in Journal of Computer-Aided Molecular Design (2021)

  2. Article

    Computational and biophysical approaches to protein–protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex

    Invasion of the red blood cell by Plasmodium falciparum parasites requires formation of an electron dense circumferential ring called the Moving Junction (MJ). The MJ is anchored by a high affinity complex of two...

    Emilie Pihan, Roberto F. Delgadillo… in Journal of Computer-Aided Molecular Design (2015)

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