Papers matching “computational methods” 4,837
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Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
8citations -
Impact of technical, patient-related and measurement variables on serial Hounsfield unit–based quantitative coronary plaque analysis in computed tomography: time for a new chapter2025 European Heart Journal - Imaging Methods and Practice review Medicine Cardiac Imaging and Diagnostics Open access
Francesca Calicchio, Elizabeth Epstein, Melinda Boussoussou, Borbála Vattay, Alexander R. van Rosendael, Shawn Newlander, +5 more
8citations -
Recurrent Colorectal Liver Metastases in the Liver Remnant After Major Liver Surgery—IRE as a Salvage Local Treatment When Resection and Thermal Ablation are Unsuitable2021 CardioVascular and Interventional Radiology article Biochemistry, Genetics and Molecular Biology Microbial Inactivation Methods Open access
Lea Hitpaß, Martina Distelmaier, Ulf P. Neumann, Wenzel Schöning, Peter Isfort, Sebastian Keil, +3 more
8citations -
Local depletion of large molecule drugs due to target binding in tissue interstitial space2024 CPT Pharmacometrics & Systems Pharmacology article Computer Science Computational Drug Discovery Methods Open access
Tatiana Zasedateleva, Stephan Schaller, Elizabeth C. M. de Lange, Wilhelmus E. A. de Witte
8citations -
Efficient thermo-mechanically coupled and geometrically nonlinear two-scale FE-FFT-based modeling of elasto-viscoplastic polycrystalline materials2024 Computer Methods in Applied Mechanics and Engineering article Engineering Composite Material Mechanics Open access
Annika Schmidt, Christian Gierden, Rainer Fechte‐Heinen, Stefanie Reese, Johanna Waimann
7citations -
Multi-objective synthesis planning by means of Monte Carlo Tree search2025 Artificial Intelligence in the Life Sciences article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Helen Lai, Christos C. Kannas, Alan Kai Hassen, Emma Granqvist, Annie M. Westerlund, Djork-Arné Clevert, +2 more
7citations -
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 -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Gabriela Moisescu-Pareja, Oleksandr Dymov, Samuel Maddrell-Mander, +26 more
6citations -
Comparison of left ventricular mass and wall thickness between cardiac computed tomography angiography and cardiac magnetic resonance imaging using machine learning algorithms2024 European Heart Journal - Imaging Methods and Practice article Medicine Cardiac Imaging and Diagnostics Open access
Finn Y. van Driest, Rob J. van der Geest, Sharif Omara, Alexander Broersen, Jouke Dijkstra, J. Wouter Jukema, +1 more
6citations -
Toward target 2035: EUbOPEN - a public–private partnership to enable & unlock biology in the open2024 RSC Medicinal Chemistry article Computer Science Computational Drug Discovery Methods Open access
Claudia Tredup, Suzanne Z. Ackloo, Hartmut Beck, Peter J. Brown, Alex N. Bullock, Alessio Ciulli, +28 more
6citations -
MEFT: Memory-Efficient Fine-Tuning through Sparse Adapter2024 Annual Meeting of the Association for Computational Linguistics (ACL) conference-paper Computer Science Domain Adaptation and Few-Shot Learning Open access
Jitai Hao, Weiwei Sun, Xin Xin, Qi Meng, Zhumin Chen, Pengjie Ren, +1 more
6citations -
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