Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set von Lenselink, Eelke B., ten Dijke, Niels, Bongers, Brandon, Papadatos, George, van Vlijmen, Herman W. T., Kowalczyk, Wojtek, IJzerman, Adriaan P., van Westen, Gerard J. P.

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Advances and Challenges in Computational Target Prediction von Sydow, Dominique, Burggraaff, Lindsey, Szengel, Angelika, van Vlijmen, Herman W. T, IJzerman, Adriaan P, van Westen, Gerard J. P, Volkamer, Andrea

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Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel von Cortés-Ciriano, Isidro, van Westen, Gerard J P, Bouvier, Guillaume, Nilges, Michael, Overington, John P, Bender, Andreas, Malliavin, Thérèse E

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An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor von Liu, Xuhan, Ye, Kai, van Vlijmen, Herman W. T., IJzerman, Adriaan P., van Westen, Gerard J. P.

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Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and Opportunities von Gorostiola González, Marina, Rakers, Pepijn R J, Jespers, Willem, IJzerman, Adriaan P, Heitman, Laura H, van Westen, Gerard J P

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Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP von Donkers, Joanne M., Zehnder, Benno, van Westen, Gerard J. P., Kwakkenbos, Mark J., IJzerman, Adriaan P., Oude Elferink, Ronald P. J., Beuers, Ulrich, Urban, Stephan, van de Graaf, Stan F. J.

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DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology von Liu, Xuhan, Ye, Kai, van Vlijmen, Herman W. T., Emmerich, Michael T. M., IJzerman, Adriaan P., van Westen, Gerard J. P.

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Expand Your Horizon: A programme that improves body image and reduces self-objectification by training women to focus on body functionality von Alleva, Jessica M., Martijn, Carolien, Van Breukelen, Gerard J.P., Jansen, Anita, Karos, Kai

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Computational Approaches for De Novo Drug Design: Past, Present, and Future von Liu, Xuhan, IJzerman, Adriaan P., van Westen, Gerard J. P.

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Potent Inhibition of Nicotinamide N‑Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics von Gao, Yongzhi, van Haren, Matthijs J, Buijs, Ned, Innocenti, Paolo, Zhang, Yurui, Sartini, Davide, Campagna, Roberto, Emanuelli, Monica, Parsons, Richard B, Jespers, Willem, Gutiérrez-de-Terán, Hugo, van Westen, Gerard J. P, Martin, Nathaniel I

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DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning von Liu, Xuhan, Ye, Kai, van Vlijmen, Herman W. T., IJzerman, Adriaan P., van Westen, Gerard J. P.

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Development of Ubiquitin‐Based Probe for Metalloprotease Deubiquitinases von Hameed, Dharjath S., Sapmaz, Aysegul, Burggraaff, Lindsey, Amore, Alessia, Slingerland, Cornelis J., Westen, Gerard J. P., Ovaa, Huib

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Specialised treatment based on cognitive behaviour therapy versus usual care for tinnitus: a randomised controlled trial von Cima, Rilana FF, Dr, Maes, Iris H, MSc, Joore, Manuela A, PhD, Scheyen, Dyon JWM, MSc, El Refaie, Amr, PhD, Baguley, David M, PhD, Anteunis, Lucien JC, PhD, van Breukelen, Gerard JP, PhD, Vlaeyen, Johan WS, PhD

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2023 A new French revolution: Organ preservation for rectal cancer von Gérard, J.-P.

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AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models von Bernatavicius, Andrius, Šícho, Martin, Janssen, Antonius P. A., Hassen, Alan Kai, Preuss, Mike, van Westen, Gerard J. P.

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Linking drug target and pathway activation for effective therapy using multi-task learning von Yang, Mi, Simm, Jaak, Lam, Chi Chung, Zakeri, Pooya, van Westen, Gerard J. P., Moreau, Yves, Saez-Rodriguez, Julio

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Chemical, target, and bioactive properties of allosteric modulation von van Westen, Gerard J P, Gaulton, Anna, Overington, John P

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Sample Size Calculation and Optimal Design for Regression-Based Norming of Tests and Questionnaires von Innocenti, Francesco, Tan, Frans E. S., Candel, Math J. J. M., van Breukelen, Gerard J. P.

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Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition von Wang, Xuesong, Jespers, Willem, Prieto-Díaz, Rubén, Majellaro, Maria, IJzerman, Adriaan P., van Westen, Gerard J. P., Sotelo, Eddy, Heitman, Laura H., Gutiérrez-de-Terán, Hugo

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Calculating sample sizes for cluster randomized trials: We can keep it simple and efficient von van Breukelen, Gerard J.P, Candel, Math J.J.M

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