Table 2.

Average molecular properties along the trajectory of 10 ns molecular dynamics simulation of the fully equilibrated molecules in explicit solvent.

	3	4	2(6g)	2(8g)	1
SA (Å)	4527.93	5714.03	10648.88	10555.73	14181.90
PSA (Å)	1793.17	2305.07	5030.59	4960.91	5782.19
Gyration radius (Å)	11.61	13.58	17.96	17.65	19.38

2 (6g) – with 6 glucosamines; 2(8g) – with 8 glucosamines.