Table 1.

List of performed molecular dynamics simulations.

System	Size of unit cell [Å]	Simulation time [μs]
gp120 glycosylated (mannose 5) bound by sCD4	131 × 130 × 125	0.7
gp120 deglycosylated bound by sCD4	130 × 130 × 124	0.7
V3 linear peptide	62 × 60 × 54	1.2
V3-RF cyclic peptide	60 × 67 × 60	1.2
V3-RY cyclic peptide	54 × 48 × 52	1.2
V3-IF cyclic peptide	54 × 48 × 52	1.2
V3-IY cyclic peptide	50 × 50 × 50	1.2