Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations.

Abdelrahman AHM, Ali SSM, Attia MAA, Hemia RRA, Sidhom PA, Mohamed LA, Han Y, Shoeib T, El-Tayeb MA, Ibrahim MAA, Essawy EA

Open source

DOI
10.1038/s41598-026-58088-8
Published
2026 Jul 1
Container
Scientific reports
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1038/s41598-026-58088-8,
  title = {Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations.},
  author = {Abdelrahman AHM and Ali SSM and Attia MAA and Hemia RRA and Sidhom PA and Mohamed LA and Han Y and Shoeib T and El-Tayeb MA and Ibrahim MAA and Essawy EA},
  year = {2026},
  journal = {Scientific reports},
  doi = {10.1038/s41598-026-58088-8},
  url = {https://doi.org/10.1038/s41598-026-58088-8}
}

RIS

TY  - JOUR
TI  - Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations.
AU  - Abdelrahman AHM
AU  - Ali SSM
AU  - Attia MAA
AU  - Hemia RRA
AU  - Sidhom PA
AU  - Mohamed LA
AU  - Han Y
AU  - Shoeib T
AU  - El-Tayeb MA
AU  - Ibrahim MAA
AU  - Essawy EA
PY  - 2026
JO  - Scientific reports
DO  - 10.1038/s41598-026-58088-8
UR  - https://doi.org/10.1038/s41598-026-58088-8
ER  - 

APA

AHM, A., SSM, A., MAA, A., RRA, H., PA, S., LA, M., Y, H., T, S., MA, E., MAA, I., & EA, E. (2026). Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations.. Scientific reports. https://doi.org/10.1038/s41598-026-58088-8

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