- 
    
      Annealing of ~12.5 nm thick vacuum-deposited organic thin film of 5 wt% Ir(pp...This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of...
- 
    
      Annealing of ~12.5 nm thick vacuum-deposited organic thin film of 5 wt% Ir(pp...This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of...
- 
    
      Spontaneous penetration of water into a vacuum deposited 6wt% Ir(ppy)2(acac):...A layer of water was placed over a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfilm. No water was placed within the film. Water spontaneously diffused into the film...
- 
    
      Oxygen diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfi...20 oxygen molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 3 of 3).
- 
    
      Oxygen diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfi...20 oxygen molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 2 of 3).
- 
    
      Oxygen diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfi...20 oxygen molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 1 of 3).
- 
    
      Water diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfil...20 water molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 3 of 3).
- 
    
      Water diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfil...20 water molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 2 of 3).
- 
    
      Water diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfil...20 water molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 1 of 3).
- 
    
      Solution Processed 5wt% Ir(ppy)2(acac):CBP organic thinfilmA simulation of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm that is being formed by solvent evaporation. The solvent used is chloroform. All 11 files are from different stages of...
- 
    
      Annealed Ir(ppy)2(acac):CBP organic thinfilmA model of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm that was solution processed with chloroform. The residual chloroform in the system has been removed, leaving behind...
- 
    
      POPC_bilayer_1RTD1_repeat3A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 3
- 
    
      POPC_bilayer_1RTD1_repeat2A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 2
- 
    
      POPC_bilayer_1RTD1_repeat1A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 1
- 
    
      POPC bilayer with pore and RTD-1 repeat 1A lipid bilayer consisting of 512 POPC molecules with pre-formed pore and 4 RTD-1 (Rhesus Theta Defensin), repeat 1, TauP has been changed at 50ns of the simulation
- 
    
      1x pediocin PA-1 in water at pH 7 and 298 K 3/3Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns
- 
    
      1x pediocin PA-1 in water at pH 7 and 298 K 2/3Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns
- 
    
      1x pediocin PA-1 in water at pH 7 and 298 K 1/3Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns
- 
    
      1x pediocin PA-1 in water at pH 7 and 323 K 2/2Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns
- 
    
      1x pediocin PA-1 in water at pH 7 and 323 K 1/2Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns
