Table 1. Molecular dynamics (MD) simulations of spike (S) protein performed in this study.

Name	Model	Method	Simulations length
gREST_Down	Spike Down w/ glycans	gREST_SSCR	500 ns × 16 replicas
gREST_Up	Spike Up w/ glycans	gREST_SSCR	300 ns × 16 replicas
gREST_Down w/o glycan	Spike Down w/o glycans	gREST_SSCR	150 ns × 16 replicas
Monomer_Down	RBD/SD1 monomer Down	cMD	300 ns × 1 run
Monomer_Up	RBD/SD1 monomer Up	cMD	300 ns × 2 runs
cMD_Down*	Spike Down w/ glycans	cMD	1000 ns × 1 run
cMD_Up*	Spike Up w/ glycans	cMD	1000 ns × 1 run

^*cMD_Down and cMD_Up are the same simulations as shown in our previous study Mori et al., 2021.