Papers matching “computational methods” 4,837
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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 Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
16citations -
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 Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Kajetan Schweighofer, Natalia Dyubankova, Gerard J. P. van Westen, Herman van Vlijmen
11citations -
HengNet: An Ultra-lightweight Model with Two-level Reuse Algorithm for Seizure Detection and Prediction2025 IEEE International Symposium on Circuits and Systems proceedings conference-paper Neuroscience EEG and Brain-Computer Interfaces
Heng Zhang, Wenjie Fan, Xingjie Zou, Chang Gao, Qinyu Chen, Yuxiang Fu
2citations -
FlopPITy: Enabling self-consistent exoplanet atmospheric retrievals with machine learning2024 arXiv (Cornell University) preprint Physics and Astronomy Stellar, planetary, and galactic studies Open access
Francisco Ardévol Martínez, Michiel Min, Daniela Huppenkothen, I. Kamp, Paul I. Palmer
0citations -
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 -
Complementing Drawability Assessment of Deep-Drawn Components With Surrogate-Based Global Sensitivity Analysis2024 ASCE-ASME Journal of Risk and Uncertainty in Engineering Systems Part B Mechanical Engineering article Decision Sciences Probabilistic and Robust Engineering Design
Tobias Lehrer, Arne Kaps, Ingolf Lepenies, Elena Raponi, Marcus M. Wagner, Fabian M. E. Duddeck
5citations -
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
1citations