Papers matching “high-throughput virtual screening” 12
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Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers2021 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access
Agastya P. Bhati, Shunzhou Wan, Austin Clyde, Mathis Bode, Mikhail Titov, André Merzky, +20 more
42citations -
A NanoBRET-based assay monitoring interactions in the USP18 signaling hub identifies the first cell-penetrant small molecule compromising USP18/ISG15 binding2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Immunology and Microbiology interferon and immune responses Open access
Sandra Hess, Marta Campos Alonso, Michael J. D. Brand, Susan Lauw, Urs Lindenmann, Paul P. Geurink, +3 more
6citations -
Lifelike Transformative Materials for Biohybrid Implants: Inspired by Nature, Driven by Technology2023 Advanced Healthcare Materials article Medicine Tissue Engineering and Regenerative Medicine Open access
Alicia Fernández‐Colino, Fabian M. Kiessling, Ioana Slabu, Laura De Laporte, Payam Akhyari, Saskia Kathi Nagel, +3 more
11citations -
Structure-Based Discovery of Mouse Trace Amine-Associated Receptor 5 Antagonists2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Alessandro Nicoli, Verena Weber, Carlotta Bon, Alexandra Steuer, Stefano Gustincich, Raul R. Gainetdinov, +3 more
7citations -
CMDmpnn: Combining Comparative Molecular Dynamics and ProteinMPNN to Rapidly Expand Enzyme Substrate Spectrum2025 Journal of Chemical Information and Modeling article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Chuanqi Sun, Zhimin Li, Ji Yu, Ulrich Schwaneberg, Zonglin Li
4citations -
Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR2023 International Journal of Molecular Sciences article Biochemistry, Genetics and Molecular Biology RNA Research and Splicing Open access
Benjamin Philipp Joseph, Verena Weber, Lisa Knüpfer, Alejandro Giorgetti, Mercedes Alfonso‐Prieto, Sybille Krauß, +2 more
10citations
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