UnCorrupt SMILES: a novel approach to de novo design

por Schoenmaker, Linde, Béquignon, Olivier J. M., Jespers, Willem, van Westen, Gerard J. P.
Publicado 2023

DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space

por Šícho, Martin, Luukkonen, Sohvi, van den Maagdenberg, Helle W., Schoenmaker, Linde, Béquignon, Olivier J. M., van Westen, Gerard J. P.
Publicado 2023

Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors

por Janssen, Antonius P.A., van Hengst, Jacob M.A., Béquignon, Olivier J.M., Deng, Hui, van Westen, Gerard J.P., van der Stelt, Mario
Publicado 2019

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells

por Béquignon, Olivier J. M., Gómez-Tamayo, Jose C., Lenselink, Eelke B., Wink, Steven, Hiemstra, Steven, Lam, Chi Chung, Gadaleta, Domenico, Roncaglioni, Alessandra, Norinder, Ulf, Water, Bob van de, Pastor, Manuel, van Westen, Gerard J. P.
Publicado 2023

Hypoxia Triggers TAZ Phosphorylation in Basal A Triple Negative Breast Cancer Cells

por Liu, Qiuyu, van der Stel, Wanda, van der Noord, Vera E., Leegwater, Hanneke, Coban, Bircan, Elbertse, Kim, Pruijs, Joannes T. M., Béquignon, Olivier J. M., van Westen, Gerard, Dévédec, Sylvia E. Le, Danen, Erik H. J.
Publicado 2022