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PreprintLicence not statedChemRxiv

Incorporating Polarization into ML/MM Endpoint Calculations for Protein–Ligand Affinity Ranking

  • Leshen Zhang1,2
  • Xujian Wang3,4,5,6,7
  • Taoyu Niu3,4
  • Xuchao Zhou3,4
  • Xiao Ma
  • Guangsheng Liu8,9
  • Olexandr Isayev5,6
  • Junmei Wang3,4
  • Wan-Lu Li8,9
9 affiliations
  1. 1Department of Chemistry and Biochemistry
  2. 2University of California
  3. 3School of Pharmacy
  4. 4University of Pittsburgh
  5. 5Department of Chemistry
  6. 6Carnegie Mellon University
  7. 7School of Medicine
  8. 8Program in Materials Science and Engineering
  9. 9University of California San Diego
Open at sourceDOICite

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Cite

BibTeXRIS
BibTeX
@misc{zhang2026incorporating,
  title = {{Incorporating Polarization into ML/MM Endpoint Calculations for Protein–Ligand Affinity Ranking}},
  author = {Leshen Zhang and Xujian Wang and Taoyu Niu and Xuchao Zhou and Xiao Ma and Guangsheng Liu and Olexandr Isayev and Junmei Wang and Wan-Lu Li},
  howpublished = {ChemRxiv},
  year = {2026},
  month = nov,
  doi = {10.26434/chemrxiv.15011517/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011517/v1},
}
RIS
TY  - UNPB
TI  - Incorporating Polarization into ML/MM Endpoint Calculations for Protein–Ligand Affinity Ranking
AU  - Leshen Zhang
AU  - Xujian Wang
AU  - Taoyu Niu
AU  - Xuchao Zhou
AU  - Xiao Ma
AU  - Guangsheng Liu
AU  - Olexandr Isayev
AU  - Junmei Wang
AU  - Wan-Lu Li
PY  - 2026
DA  - 2026/11/02
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011517/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011517/v1
ER  -