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3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
6citations -
Data publishing in mechanics and dynamics: challenges, guidelines, and examples from engineering design2025 Data-Centric Engineering article Computer Science Research Data Management Practices Open access
Henrik Ebel, Jan van Delden, Timo Lüddecke, Aditya Borse, Rutwik Gulakala, Marcus Stoffel, +11 more
2citations -
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics2021 ACS Pharmacology & Translational Science article Computer Science Computational Drug Discovery Methods Open access
Jonas Goßen, Simone Albani, Anton Hanke, Benjamin Philipp Joseph, Cathrine C. Bergh, Maria Kuzikov, +14 more
62citations -
Relaxation times do not capture logical qubit dynamics2022 ReIn UW (University of Warsaw) article Computer Science Quantum Computing Algorithms and Architecture Open access
Thomas Monz, Markus Michael Müller, Philipp Schindler, Alexander Erhard, ́Angel Rivas, Miguel-Angel Martin-Delgado
9citations -
Stirring the false vacuum via interacting quantized bubbles on a 5,564-qubit quantum annealer2025 Nature Physics article Computer Science Quantum Computing Algorithms and Architecture Open access
Jaka Vodeb, Jean-Yves Desaules, Andrew Hallam, Andrea Rava, Gregor Humar, Dennis Willsch, +4 more
17citations