Table 1. List of simulations of integrin αIIbβ3, discussed in the present study.

	Simulation	Free Thiol	Total Simulation time (ns)	Simulation Type
1	WT	None	70a	Wild type protein
2	C560R	Cys583-SH	35	In silico mutation
3	C583S	Cys560-SH	341a	In silico mutation
4	Cys560–Cys567	Cys581-SH	35	In silico thiol/disulfide exchangeproduct of C583S mutation
5	Cys560–Cys581	Cys567-SH	35	In silico thiol/disulfide exchangeproduct of C583S mutation
6	C581S	Cys567-SH	90a	In silico mutation
7	Cys567–Cys586	Cys575-SH	40	In silico thiol/disulfide exchangeproduct of C581S mutation

^a2 simulations of WT protein, 7 of C583S (with different restrain conditions; for more details see Table S1) and 3 of C581S were conducted.