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EXCELLERATP2 D3.2 First Updated Report on Exa-Enabling Methodologies2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Parallel Computing and Optimization Techniques Open access
Ansgar Niemöller, Matthias H. Meinke, Joeffrey Legaux, Mohamed Ibrahim Ghenai, Michael Wagner, Tufan Arslan, +12 more
0citations -
Compute-Efficient Medical Image Classification with Softmax-Free Transformers and Sequence Normalization2024 arXiv (Cornell University) preprint Computer Science Advanced Neural Network Applications Open access
Firas Khader, Omar S. M. El Nahhas, Tianyu Han, Gustav Anton Müller‐Franzes, Sven Nebelung, Jakob Nikolas Kather, +1 more
0citations -
The future of artificial intelligence in digital pathology - results of a survey across stakeholder groups2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science AI in cancer detection Open access
Céline N. Heinz, Amelie Echle, Sebastian Foersch, Andrey Bychkov, Jakob Nikolas Kather
1citations -
Excuse me, there is a mutant in my bioactivity soup!A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling
Marina Gorostiola González, Olivier J. M. Béquignon, Emma J. Manners, Anna Gaulton, Prudence Mutowo, Elisabeth Dawson, +5 more
3citations -
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
11citations -
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization2025 Nature Communications article Computer Science Computational Drug Discovery Methods Open access
David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, +17 more
7citations -
Real-World Optimization Benchmark from Vehicle Dynamics: Specification of Problems in 2D and Methodology for Transferring (Meta-)Optimized Algorithm Parameters2023 International Joint Conference on Computational Intelligence conference-paper Computer Science Metaheuristic Optimization Algorithms Research Open access
André Thomaser, Marc-Eric Vogt, Thomas Bäck, Anna V. Kononova
4citations -
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
3citations -
Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells2020 Proceedings of the National Academy of Sciences article Computer Science Computational Drug Discovery Methods Open access
Matthias Barone, Slim Chiha, Jiang Ren, Dominik Albat, Arne Soicke, Stephan Dohmen, +16 more
38citations