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. Author manuscript; available in PMC: 2022 Sep 27.
Published in final edited form as: J Chem Inf Model. 2021 Sep 1;61(9):4630–4644. doi: 10.1021/acs.jcim.1c00737

Figure 1.

Figure 1.

Illustration of scoring function forms of Autodock Vina and Lin_F9. The introduced new empirical terms in Lin_F9 are highlighted in bold font. wi represents weight for the corresponding empirical term. d is atom pair center distance – sum of atomic radii for protein-ligand atom pair. Ntor is number of active torsions for ligand. Hbond represents hydrogen bond term. Mbond represents metal bond term. A detailed definitions of function forms of Gauss, Repulsion, Hydrophobic, Hbond and Mbond are illustrated in Figure 3.