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SIMULATIONS of OMPLA (monomer) in diC10PC

SIMULATIONS of OMPLA (monomer) in diC10PC. Preliminary Results summary. diC10PC. T=310 K Distance(P-P) = 26.5 A (exp. 26.5 A @293K) Carbon thickness = 15.5 A Area/lipid = 65.00 +/- 0.03 A 2 (exp. 69.7 +/- 4.8 A 2 @293 K). OMPLA + diC10PC. System: OMPLA monomer (aa 13-269)

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SIMULATIONS of OMPLA (monomer) in diC10PC

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  1. SIMULATIONS of OMPLA (monomer) in diC10PC Preliminary Results summary

  2. diC10PC T=310 K Distance(P-P) = 26.5 A (exp. 26.5 A @293K) Carbon thickness = 15.5 A Area/lipid = 65.00 +/- 0.03 A2 (exp. 69.7 +/- 4.8 A2 @293 K)

  3. OMPLA + diC10PC System: OMPLA monomer (aa 13-269) 28 crystal waters 191 diC10PC lipids 15556 SPC water (82 water/lipid) PME constant T (300, 310 330, 350 K) and P (a 1tm) 10 ns simulation.

  4. OMPLA (300K) Rmsd ~ 2 A is maintained for 10 ns (means that the system is not falling apart).

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