Cloud-based ligand-guided virtual screening with deep-learning-enhanced docking identifies a micromolar CXCR4 antagonist.

Nalinratana N, Sangsawat M, Chong KC, Xu Y, Han J, Ding Y, Cai Z, Thitikornpong W, Zhu H, Vajragupta O, Rojsitthisak P

Open source

DOI
10.1007/s11030-026-11695-z
Published
2026 Aug 20
Container
Molecular diversity
Publisher
Not recorded
Open access
unknown

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BibTeX

@article{allodium:10.1007/s11030-026-11695-z,
  title = {Cloud-based ligand-guided virtual screening with deep-learning-enhanced docking identifies a micromolar CXCR4 antagonist.},
  author = {Nalinratana N and Sangsawat M and Chong KC and Xu Y and Han J and Ding Y and Cai Z and Thitikornpong W and Zhu H and Vajragupta O and Rojsitthisak P},
  year = {2026},
  journal = {Molecular diversity},
  doi = {10.1007/s11030-026-11695-z},
  url = {https://doi.org/10.1007/s11030-026-11695-z}
}

RIS

TY  - JOUR
TI  - Cloud-based ligand-guided virtual screening with deep-learning-enhanced docking identifies a micromolar CXCR4 antagonist.
AU  - Nalinratana N
AU  - Sangsawat M
AU  - Chong KC
AU  - Xu Y
AU  - Han J
AU  - Ding Y
AU  - Cai Z
AU  - Thitikornpong W
AU  - Zhu H
AU  - Vajragupta O
AU  - Rojsitthisak P
PY  - 2026
JO  - Molecular diversity
DO  - 10.1007/s11030-026-11695-z
UR  - https://doi.org/10.1007/s11030-026-11695-z
ER  - 

APA

N, N., M, S., KC, C., Y, X., J, H., Y, D., Z, C., W, T., H, Z., O, V., & P, R. (2026). Cloud-based ligand-guided virtual screening with deep-learning-enhanced docking identifies a micromolar CXCR4 antagonist.. Molecular diversity. https://doi.org/10.1007/s11030-026-11695-z

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