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Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses2022 Journal of the American Chemical Society article Computer Science Computational Drug Discovery Methods Open access
Andreas Luttens, Hjalmar Gullberg, Eldar Abdurakhmanov, Duy Duc Vo, Dario Akaberi, V. Talibov, +19 more
253citations -
Automated Parallel Synthesis Accelerates Virtual Screening Hit Discovery2026 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Chemical Synthesis and Analysis Open access
Sean M. McKenna, Martin Šícho, Cas van der Horst, Jesse Maasland, Edith van der Nol, Andrius Bernatavicius, +3 more
0citations -
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Alzbeta Tuerkova, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, +4 more
24citations -
Automated Parallel Synthesis Accelerates Virtual Screening Hit Discovery2026 Journal of the American Chemical Society article Biochemistry, Genetics and Molecular Biology Chemical Synthesis and Analysis Open access
Sean M. McKenna, Martin Šícho, Cas van der Horst, Jesse Maasland, Edith van der Nol, Gianluca Turco, +4 more
0citations -
Supplementary files to "Finding the Right TEMPO: Multi-Objective Virtual Screening and Experimental Validation of TEMPO Derivatives for Aqueous Redox Flow Battery Catholytes"2026 Zenodo (CERN European Organization for Nuclear Research) supplementary-materials Engineering Advanced battery technologies research Open access
Daniel Willimetz, Žak Ruben Šinkovec, Jan Hamaekers, Alexei A. Lapkin, Abhishek Khetan
0citations -
Supplementary files to "Finding the Right TEMPO: Multi-Objective Virtual Screening and Experimental Validation of TEMPO Derivatives for Aqueous Redox Flow Battery Catholytes"2026 Zenodo (CERN European Organization for Nuclear Research) supplementary-materials Engineering Advanced battery technologies research Open access
Daniel Willimetz, Žak Ruben Šinkovec, Jan Hamaekers, Alexei A. Lapkin, Abhishek Khetan
0citations -
Accuracy and Precision of Mandible Segmentation and Its Clinical Implications: Virtual Reality, Desktop Screen and Artificial Intelligence2023 Expert Systems with Applications article Computer Science Medical Image Segmentation Techniques Open access
Lennart Johannes Gruber, Jan Egger, Andrea Bönsch, Joep Kraeima, Max Ulbrich, Vincent Van den Bosch, +6 more
27citations -
A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics2020 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
Jonas Goßen, Simone Albani, Anton Hanke, Benjamin Philipp Joseph, Cathrine C. Bergh, Maria Kuzikov, +14 more
5citations -
Development of a Tailored Online Video-Based Assistant to Support Prenatal Screening Decisions in Couples With Limited Health Literacy: User-Centered Design Approach2025 JMIR Formative Research article Health Professions Health Literacy and Information Accessibility Open access
Katharina Preuhs, Hilde Marijke van Keulen, Jeroen Pronk, Marlies E. B. Rijnders, Angelique Wils, Marianne J Nieuwenhuijze, +2 more
0citations -
Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Khaled Essa, Kian Noorman van der Dussen, Yao Yao, Bente T.M. Bleijs, Natalia V. Ortiz Zacarı́as, Laura H. Heitman, +4 more
1citations -
In silico/in vitro screening and hit evaluation identified new phenothiazine anti-prion derivatives2020 European Journal of Medicinal Chemistry article Biochemistry, Genetics and Molecular Biology Prion Diseases and Protein Misfolding
Ludovica Zaccagnini, Giulia Rossetti, Thanh Hoa Tran, Giulia Salzano, Annachiara Gandini, Arianna Colini Baldeschi, +3 more
7citations -
Delirium detection in the emergency department: A diagnostic accuracy meta‐analysis of history, physical examination, laboratory tests, and screening instruments2024 Academic Emergency Medicine article Medicine Intensive Care Unit Cognitive Disorders Open access
Christopher R. Carpenter, Sangil Lee, Maura Kennedy, Glenn Arendts, Linda Schnitker, Debra A. Eagles, +6 more
24citations