Papers matching “computational methods” 2,863
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Biosynfoni: a biosynthesis-informed and interpretable lightweight molecular fingerprint2025 Journal of Cheminformatics article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Lucina-May Nollen, David Meijer, Maria Sorokina, Justin J. J. van der Hooft
6citations -
Epicardial adipose tissue in patients with systemic sclerosis2023 European Heart Journal - Imaging Methods and Practice article Medicine Cardiovascular Disease and Adiposity Open access
Xu Wang, Steele C. Butcher, Rinchyenkhand Myagmardorj, Sophie I E Liem, Victoria Delgado, Jeroen Joost Bax, +2 more
5citations -
Towards new approach methodologies for biological therapeutics: a novel model-informed metric to assess immunogenicity risk2025 Frontiers in Immunology article Immunology and Microbiology Biosimilars and Bioanalytical Methods Open access
Rachel H. Rose, Aban Shuaib, Manon Wigbers, Maryam Khalifa, Andrzej M. Kierzek, Piet H. van der Graaf
5citations -
Determining local distribution of convective heat transfer coefficients on the tool during orthogonal cutting2025 International Journal of Numerical Methods for Heat & Fluid Flow article Engineering Advanced machining processes and optimization
Julius Wilker, Tim Göttlich, Thorsten Helmig, Rafael Solana Gomez, Hossein Askarizadeh, Reinhold Kneer
4citations -
IMI European Lead Factory — democratizing access to high-throughput screening2021 Nature Reviews Drug Discovery article Computer Science Computational Drug Discovery Methods Open access
Philip S. Jones, Sylviane Boucharens, Stuart P. McElroy, Angus J. Morrison, Saman Honarnejad, Stan van Boeckel, +58 more
4citations -
A structural machine learning approach for rapid prediction of thermodynamically destabilizing tyrosine phosphorylations2025 Cell Reports Methods article Biochemistry, Genetics and Molecular Biology Machine Learning in Bioinformatics Open access
Jaie C. Woodard, Atena Malemir Chegini, Jian Tian, Rupa Bhowmick, Subramaniam Pennathur, Alireza Mashaghi, +2 more
4citations -
IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates2025 The Journal of Physical Chemistry B article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Linde Schoenmaker, Daan A. Jiskoot, Jenke Scheen, Evien Cheng, Vytautas Gapsys, David F. Hahn, +4 more
3citations -
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Olivier J. M. Béquignon, José Carlos Gómez-Tamayo, Eelke Bart Lenselink, Steven Wink, Steven W. Hiemstra, Chi Chung Lam, +6 more
3citations -
Sensitivity of patient-specific physiological and pathological aortic hemodynamics to the choice of outlet boundary condition in numerical models2025 Computer Methods and Programs in Biomedicine Update article Medicine Aortic Disease and Treatment Approaches Open access
Tianai Wang, Christine Quast, Florian Bönner, Tobias Zeus, Malte Kelm, Teresa Lemainque, +2 more
3citations -
Systematic assessment of transcriptomic and phenotypic biological profiling for mechanism-based hazard assessment using target-annotated reference chemicals in renal proximal tubular epithelial cells2026 Archives of Toxicology article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Hugo W van Kessel, Marlene Wedler, Palle Steen Helmke, Dace Zigure, Stephen Ferguson, Joshua Harrill, +5 more
2citations -
EACVI Survey on the Current Multi-Modality Imaging Practice in Patients with Tricuspid Regurgitation2026 European Heart Journal - Imaging Methods and Practice article Medicine Cardiac Valve Diseases and Treatments Open access
Denisa Muraru, Steffen Erhard Petersen, Marc Richard Dweck, Giovanni Di Salvo, Andreea Călin, Gamze Babür Güler, +18 more
2citations