In silico evaluation of 4-quinolone ligands interacting with human G protein-coupled receptor kinase 5 (GRK5) using message passing neural networks (MPNNs), molecular docking, and dynamics simulation.
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| Title: | In silico evaluation of 4-quinolone ligands interacting with human G protein-coupled receptor kinase 5 (GRK5) using message passing neural networks (MPNNs), molecular docking, and dynamics simulation. |
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| Authors: | Anthony, Godswill Imolele1,2,3 (AUTHOR) anthonyimolele@gmail.com, Ogbozor, Festus Ikechukwu1,4 (AUTHOR), Atanda, David Ololade5 (AUTHOR), Folaranmi, Isaac Olawale6 (AUTHOR), Eguavoen, Aisosa Endurance4 (AUTHOR), Olaide, Taiwo Hamidat7 (AUTHOR), Nwachukwu, Fortune Udochukwu8 (AUTHOR), Ohilebo, Abass Abdulateef9 (AUTHOR), Okotie, Gloria Enevwo10 (AUTHOR), Adubi, Precious Okhuomon11 (AUTHOR), Ayangoke, Abiodun Onilude12 (AUTHOR), Bodun, Damilola Samuel13 (AUTHOR) |
| Source: | Egyptian Journal of Medical Human Genetics. 9/22/2025, Vol. 26 Issue 1, p1-16. 16p. |
| Database: | Academic Search Ultimate |
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| ISSN: | 11108630 |
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| DOI: | 10.1186/s43042-025-00780-x |
