In Silico Screening of Aptamers Configuration against Hepatitis B Surface Antigen

Table 3

Number of atoms in each aptamer, Vina docking score, and Root Mean Square (RMS) value of each docked aptamer before and after docking on HBsAg. The RMS value of each aptamer was determined by aligning before and after docking structure using PyMOL.

No.	Aptamer name	No. of atoms	RMS of initial and after docking structures	Vina score (kJ/mol)
1	H01a	222	6.978	-27.196
2	H01b	254	8.944	-31.798
3	H02a	254	8.006	-24.686
4	H02b	256	6.549	-24.686
5	H03a	255	6.133	-22.175