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For instance, Liu et al

Ozcan, T., Sahin, S., Akpinar-Bayizit, A., & Yilmaz-Ersan, L

First, in the system construction phase, the initial structure of the target molecule (such as a protein-ligand complex) must be determined, and environmental factors such as solvent molecules (e.g., water) and ions must be added

FEBS Lett 473(2):145148 Wicherska-Pawowska K, Wrbel T, Rybka J (2021) Toll-like receptors (TLRs), NOD-like receptors (NLRs), and RIG-I-like receptors (RLRs) in innate immunity: TLRs, NLRs, and RLRs ligands as immunotherapeutic agents for hematopoietic diseases

PMID: 41626143 Transl Cancer Res2025 Jul 30;14(7):4046-4057

Hammonds ACS Omega.2019