Skip to main content
. 2022 Nov 2;38(1):138–155. doi: 10.1080/14756366.2022.2137161

Table 3.

The results of a molecular docking simulation of amantadine to BSA.

Mode Affinity (kcal/mol) RMSD (lower bond) RMSD (upper bond) Amino acid residues
1 −6.4 0.000 0.000  
2 −6.4 0.023 2.271  
3 −6.4 0.130 2.297  
4 −6.4 1.455 2.999  
5 −5.6 33.261 34.494 TYR-160
6 −5.6 33.245 34.455 TYR-160
7 −5.6 33.257 34.513  
8 −5.6 33.528 34.787 LEU-115
9 −5.6 33.514 34.765 LEU-115

Note: LEU: leucine; RMSD: root-mean-square deviations of atomic positions; TYR: tyrosine.