| PMIpred: a physics-informed web server for quantitative protein–membrane interaction prediction N van Hilten, N Verwei, J Methorst, C Nase, A Bernatavicius, ... Bioinformatics 40 (2), btae069, 2024 | 4 | 2024 |
| AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models A Bernatavicius, M Šícho, A Janssen, AK Hassen, M Preuss, ... | | 2024 |
| Docking-informed machine learning for kinome wide affinity prediction J Schifferstein, A Bernatavicius, APA Janssen | | 2024 |
| Generate What You Can Make: Achieving in-house synthesizability with readily available resources in de novo drug design AK Hassen, M Sicho, YJ van Aalst, MCW Huizenga, DNR Reynolds, ... | | 2024 |
| QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool HW van den Maagdenberg, M Šícho, DA Araripe, S Luukkonen, ... | | 2024 |
| EduGym: An Environment Suite for Reinforcement Learning Education TM Moerland, M Müller-Brockhausen, Z Yang, A Bernatavicius, K Ponse, ... arXiv preprint arXiv:2311.10590, 2023 | | 2023 |
