Papers matching “computational methods” 1,065
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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 -
Potential of Homomorphic Encryption for Cloud Computing Use Cases in Manufacturing2023 Journal of Cybersecurity and Privacy article Computer Science Cryptography and Data Security Open access
Raphael Kiesel, Marvin Lakatsch, Alexander Mann, Karl Lossie, Felix Sohnius, Robert Heinrich Schmitt
21citations -
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Kajetan Schweighofer, Natalia Dyubankova, Gerard J. P. van Westen, Herman van Vlijmen
9citations -
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 -
Refining computer tomography data with super-resolution networks to increase the accuracy of respiratory flow simulations2024 Future Generation Computer Systems article Computer Science Advanced Image Processing Techniques Open access
Xin Liu, Mario Rüttgers, Alessio Quercia, Romain Égelé, Elisabeth A. G. Pfaehler, Rushikesh Shende, +4 more
8citations -
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 -
A methodical approach to evaluate the potential of Quantum Computing for Manufacturing Simulations2026 Procedia CIRP article Computer Science Quantum Computing Algorithms and Architecture Open access
Stefan Schröder, J. Felipe, Sven Danz, Pascal Kienast, Alessandro Ciani, Philipp Ganser, +1 more
0citations -
Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Alan Kai Hassen, Martin Šícho, Yorick J. van Aalst, Mirjam C. W. Huizenga, Darcy N. R. Reynolds, Sohvi Luukkonen, +5 more
16citations -
Anomaly Detection in Control Systems With Interval Dissimilarity2022 Cybernetics & Informatics (K&I) conference-paper Computer Science Anomaly Detection Techniques and Applications
Marco Kemmerling, Maciej Combrzynski-Nogala, Marc Hasler, Chrismarie Enslin, Daniel Lütticke, Robert Heinrich Schmitt
0citations