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CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes
Sunhwan Jo, Joseph B. Lim, Jeffery B. Klauda, Wonpil Im Biophysical Journal Volume 97, Issue 1, Pages (July 2009) DOI: /j.bpj Copyright © 2009 Biophysical Society Terms and Conditions
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Figure 1 Average surface area (SA) per lipid for four membrane trajectories after a constrained equilibration period of ns. Biophysical Journal , 50-58DOI: ( /j.bpj ) Copyright © 2009 Biophysical Society Terms and Conditions
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Figure 2 Average electron-density profiles (for last 10 ns of trajectory). Biophysical Journal , 50-58DOI: ( /j.bpj ) Copyright © 2009 Biophysical Society Terms and Conditions
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Figure 3 Scaled and symmetrized electron density of five phospholipids for CPRΔ1 simulation. For comparison, densities are scaled to amount of DOPC in this simulation. Biophysical Journal , 50-58DOI: ( /j.bpj ) Copyright © 2009 Biophysical Society Terms and Conditions
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Figure 4 Calculated aliphatic chain deuterium order parameters (|SCD|) for chain 2 of DPPC, compared with measured values of DPPC (41°C) and DMPC with 30 mol % of cholesterol at 298 K (49). Standard error for calculated values of |SCD| is 0.01. Biophysical Journal , 50-58DOI: ( /j.bpj ) Copyright © 2009 Biophysical Society Terms and Conditions
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Figure 5 Probability distribution for angle of cholesterol (defined by the C3–C17 (13) that connects two opposite portions of the sterol ring) with respect to bilayer normal. Biophysical Journal , 50-58DOI: ( /j.bpj ) Copyright © 2009 Biophysical Society Terms and Conditions
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Figure 6 Snapshot from CPRΔ1 at 4 ns, centered on cholesterol (Chol) that is orientated parallel to bilayer surface. Lipids are colored as follows: DOPC (green), DPPC (blue), POPA (black), POPE (red), and POPS (purple). Biophysical Journal , 50-58DOI: ( /j.bpj ) Copyright © 2009 Biophysical Society Terms and Conditions
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