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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
15citations -
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 -
Deconstructing deep imbalanced regression: a comprehensive review and experimental evaluation2026 Artificial Intelligence Review article Computer Science Imbalanced Data Classification Techniques Open access
Noah Christoph Pütz, Jens Uwe Brandt, Marc Hilbert, Elena Raponi, Thomas Bäck, Thomas Bartz–Beielstein
1citations
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