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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 -
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool2024 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, +7 more
29citations -
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution2022 Frontiers in Cell and Developmental Biology article Computer Science Computational Drug Discovery Methods Open access
Gia Linh Hoang, Jonas Goßen, Riccardo Capelli, Toan T. Nguyen, Zhaoxi Sun, Ke Zuo, +3 more
6citations -
Using Machine Learning Methods to Assess Module Performance Contribution in Modular Optimization Frameworks2024 Evolutionary Computation article Computer Science Metaheuristic Optimization Algorithms Research Open access
Ana Kostovska, Diederick Vermetten, Peter Korošec, Sašo Džeroski, Carola Doerr, Tome Eftimov
6citations -
Using consumer wearables to estimate physical activity of nursing home residents with dementia2025 Exploration of Digital Health Technologies article Computer Science Context-Aware Activity Recognition Systems Open access
Daniela Gawehns, Suzanne Portegijs, Adriana Petronella Anna van Beek, Matthijs van Leeuwen
3citations -
A Faceted Classification of Authenticator-Centric Authentication Techniques2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science User Authentication and Security Systems Open access
Alex R. Mattukat, Vincent Schmandt, Timo Langstrof, Michael Zerbe, Horst Lichter
0citations -
A Faceted Classification of Authenticator-Centric Authentication Techniques2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science User Authentication and Security Systems Open access
Alex R. Mattukat, Vincent Schmandt, Langstrof Timo, Zerbe Michael, Horst Lichter
0citations -
Evaluating chemical similarity as a measure to identify potential substances of very high concern2020 Regulatory Toxicology and Pharmacology article Computer Science Computational Drug Discovery Methods Open access
Pim N.H. Wassenaar, Emiel Rorije, Martina G. Vijver, Willie J.G.M. Peijnenburg
19citations -
OP08.03: Success rate of the subcortical 3D fetal brain segmentation using deep learning algorithms2022 Ultrasound in Obstetrics and Gynecology conference-abstract Computer Science Medical Image Segmentation Techniques
Moska Aliasi, Lukas Hesse, M.K. Wyburd, Maartje C. Snoep, Ana I. L. Namburete, Monique C. Haak
0citations -
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods cited by 4 patents
Francesca Deflorian, Laura Pérez‐Benito, Eelke Bart Lenselink, Miles Congreve, Herman van Vlijmen, Jonathan S. Mason, +2 more
88citations -
Deep learning based automated left ventricle segmentation and flow quantification in 4D flow cardiac MRI2024 Journal of Cardiovascular Magnetic Resonance article Computer Science Medical Image Segmentation Techniques Open access
Xiaowu Sun, Li‐Hsin Cheng, Sven Plein, Pankaj Kumar Garg, Rob J. van der Geest
28citations -
Finding Phish in a Haystack: A Pipeline for Phishing Classification on Certificate Transparency Logs2021 International Conference on Availability, Reliability and Security (ARES) conference-paper Computer Science Spam and Phishing Detection Open access
Arthur Drichel, Vincent Drury, Justus von Brandt, Ulrike Meyer
25citations -
Mini-Batching, Gradient-Clipping, First- versus Second-Order: What Works in Gradient-Based Coefficient Optimisation for Symbolic Regression?2023 Genetic and Evolutionary Computation Conference (GECCO) conference-paper Computer Science Evolutionary Algorithms and Applications Open access
Joe Harrison, Marco Virgolin, Tanja Alderliesten, Peter A. N. Bosman
8citations