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Papers matching “chemical affinity” 3

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A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics
2020 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

5

citations
AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology
2023 Chemical Science article Computer Science Computational Drug Discovery Methods Open access

Jonas Goßen, Rui Pedro Ribeiro, Dirk DB Bier, Bernd Neumaier, Paolo Carloni, Alejandro Giorgetti, +1 more

17

citations
AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology
2023 Chemical Science article Computer Science Computational Drug Discovery Methods Open access

Jonas Goßen, Rui Pedro Ribeiro, Dirk DB Bier, Bernd Neumaier, Paolo Carloni, Alejandro Giorgetti, +1 more

0

citations

3 results