185 datasets found

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...

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...

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).

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).

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).

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).

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).

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).

A 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...

A 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...

Muraymycin in complex with MraY from Aquifex aeolicus embeded in a DPPC lipid bilayer ChemMedChem 2020, 15, 1429 – 1438

Muraymycin in complex with MraY from Aquifex aeolicus embeded in a DPPC lipid bilayer ChemMedChem 2020, 15, 1429 – 1438

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns