Assessing the ligand native-like pose using a quantum mechanical-derived hydropathic score for protein-ligand complementarity.

Medel-Lacruz B, Zamora WJ, Herrero E, Kellogg GE, Selent J, Vázquez J, Luque FJ

Open source

DOI
10.1038/s44386-026-00048-3
Published
2026 Jun 19
Container
npj drug discovery
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1038/s44386-026-00048-3,
  title = {Assessing the ligand native-like pose using a quantum mechanical-derived hydropathic score for protein-ligand complementarity.},
  author = {Medel-Lacruz B and Zamora WJ and Herrero E and Kellogg GE and Selent J and Vázquez J and Luque FJ},
  year = {2026},
  journal = {npj drug discovery},
  doi = {10.1038/s44386-026-00048-3},
  url = {https://doi.org/10.1038/s44386-026-00048-3}
}

RIS

TY  - JOUR
TI  - Assessing the ligand native-like pose using a quantum mechanical-derived hydropathic score for protein-ligand complementarity.
AU  - Medel-Lacruz B
AU  - Zamora WJ
AU  - Herrero E
AU  - Kellogg GE
AU  - Selent J
AU  - Vázquez J
AU  - Luque FJ
PY  - 2026
JO  - npj drug discovery
DO  - 10.1038/s44386-026-00048-3
UR  - https://doi.org/10.1038/s44386-026-00048-3
ER  - 

APA

B, M., WJ, Z., E, H., GE, K., J, S., J, V., & FJ, L. (2026). Assessing the ligand native-like pose using a quantum mechanical-derived hydropathic score for protein-ligand complementarity.. npj drug discovery. https://doi.org/10.1038/s44386-026-00048-3

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