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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

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

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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