Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modeling
Author:
Funder
King Abdulaziz University
Publisher
Springer Science and Business Media LLC
Link
https://link.springer.com/content/pdf/10.1007/s11030-024-10966-x.pdf
Reference42 articles.
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3. Bank RPD RCSB PDB-3OAW: 4-Methylpteridineones as orally active and selective PI3K/mTOR dual inhibitors. https://www.rcsb.org/structure/3OAW. Accessed 20 Jun 2024
4. Burley SK, Berman HM, Bhikadiya C et al (2019) Protein data bank: the single global archive for 3D macromolecular structure data. Nucleic Acids Res 47:D520–D528. https://doi.org/10.1093/nar/gky949
5. Bussi G, Donadio D, Parrinello M (2007) Canonical sampling through velocity rescaling. J Chem Phys 126:014101. https://doi.org/10.1063/1.2408420
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