Table of Simulations for 2J7A


Length Environment Final Snapshot RMSD/RMSF Bilayer Distortion Contacts Notes
200 ns DPPC self assembly Gaussian network for atoms at 7 A separation
200 ns DPPC self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns POPE:POPG 4:1 self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns PPPE:PPPG 4:1 self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns DPPC self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns POPC self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns PLPC self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns DLPC self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns DPPC self assembly at 303 K Gaussian network for atoms at 7 A separation NrfH only
200 ns DPPC self assembly Gaussian network for atoms at 7 A separation NrfH only
200 ns POPC self assembly at 303 K Gaussian network for atoms at 7 A separation NrfH only
300 ns POPE:POPG 4:1 self assembly Gaussian network for atoms at 7 A separation
400 ns DPPC self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site.
400 ns POPE, POPG 80:20 self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site.
400 ns DPPC self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns POPE, POPG 80:20 self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns PPPE, PPPG 80:20 self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns PLPC self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns DLPC self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns POPC self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns DPPC self assembly 300 K Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
400 ns POPC self-assembly at 300 K Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only
550 ns DPPC self assembly Gaussian network for atoms at 7 A separation plus extended network of 8 A around quinol binding site. NrfH only

Structural Bioinformatics & Computational Biochemistry, University of Oxford.