Volume 83, Issue 2, Pages (August 2002)

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Volume 83, Issue 2, Pages 1014-1025 (August 2002) Exploration of Molecular Interactions in Cholesterol Superlattices: Effect of Multibody Interactions Juyang Huang Biophysical Journal Volume 83, Issue 2, Pages 1014-1025 (August 2002) DOI: 10.1016/S0006-3495(02)75227-2 Copyright © 2002 The Biophysical Society Terms and Conditions

Figure 1 Cholesterol superlattices at four cholesterol mole fractions. (○) Acyl chain; (●) cholesterol. Biophysical Journal 2002 83, 1014-1025DOI: (10.1016/S0006-3495(02)75227-2) Copyright © 2002 The Biophysical Society Terms and Conditions

Figure 2 Snapshots of cholesterol and phospholipid lateral distributions at χchol=0.25 simulated with various combinations of interaction energies. The energy-scaling factors are (A0, A1, A2, A3, A4, A5, A6)=(0, 0, 1, 1, 1, 1, 1). (a) Random distribution; (b) ΔEm=−2 kT and ΔEa=0; (c) ΔEm=−2 kT and ΔEa=1.5 kT; (d) ΔEm=−2 kT and ΔEa=2.0 kT; (e) ΔEm=−2 kT and ΔEa=2.5 kT; (f) ΔEm=−1 kT and ΔEa=2.5 kT. (○) Acyl chain; (●) cholesterol. Biophysical Journal 2002 83, 1014-1025DOI: (10.1016/S0006-3495(02)75227-2) Copyright © 2002 The Biophysical Society Terms and Conditions

Figure 3 Two possible regular distribution patterns at χchol=0.40. (○) Acyl chain; (●) cholesterol. Biophysical Journal 2002 83, 1014-1025DOI: (10.1016/S0006-3495(02)75227-2) Copyright © 2002 The Biophysical Society Terms and Conditions

Figure 4 Snapshots of cholesterol and phospholipid lateral distributions simulated with various combinations of interaction energies. (a–c) Distributions at χchol=0.40 simulated with the energy-scaling factors (A0, A1, A2, A3, A4, A5, A6)=(0, 0, 0, 1, 1, 1, 1). (a) Random distribution; (b) ΔEm=−2.5 kT and ΔEa=0; (c) ΔEm=−2.5 kT and ΔEa=2.5 kT. (d–f) Distributions at χchol=0.50 simulated with a pairwise interaction only. (d) Random distribution; (e) ΔEm=−1.3 kT; (f) ΔEm=−2.5 kT. (○) Acyl chain; (●) cholesterol. Biophysical Journal 2002 83, 1014-1025DOI: (10.1016/S0006-3495(02)75227-2) Copyright © 2002 The Biophysical Society Terms and Conditions

Figure 5 Snapshots of cholesterol and phospholipid lateral distributions at χchol=0.154. The energy-scaling factors are (A0, A1, A2, A3, A4, A5, A6)=(0, 0, 1, 1, 1, 1, 1). (a) Random distribution; (b) ΔEm=−1 kT and ΔEa=2.5 kT, without the second nearest-neighbor interaction; (c) ΔEm=−1 kT and ΔEa=2.5 kT, with the second nearest-neighbor interaction. (○) Acyl chain; (●) cholesterol. Biophysical Journal 2002 83, 1014-1025DOI: (10.1016/S0006-3495(02)75227-2) Copyright © 2002 The Biophysical Society Terms and Conditions

Figure 6 Snapshots of cholesterol and phospholipid lateral distributions at various cholesterol mole fractions simulated with a same set of interaction parameters: (A0, A1, A2, A3, A4, A5, A6)=(0, 0, 1, 3, 6, 7, 8), ΔEm=−6.5 kT, and ΔEa=2.3 kT. (a) χchol=0.21; (b) χchol=0.25, a superlattice; (c) χchol=0.28; (d) χchol=0.37; (e) χchol=0.40, a superlattice; (f) χchol=0.43; (g) χchol=0.45; (h) χchol=0.47; (i) χchol=0.50, a superlattice. (○) Acyl chain; (●) cholesterol. Biophysical Journal 2002 83, 1014-1025DOI: (10.1016/S0006-3495(02)75227-2) Copyright © 2002 The Biophysical Society Terms and Conditions