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CYP199A4-F182L in complex with 4-phenylbenzoic acid
CYP199A4-F182L in complex with 4-phenylbenzoic acid with FF14SB+TIP3P in AMBER (replicate 1 of 4). https://doi.org/10.1002/chem.202201895 -
DMPC lipid bilayer with TPP
A lipid bilayer consisting of 512 DMPC molecules interacting with 1 TPP (Tetraphenylphosphonium) with a chloride as counter ion. Performed with the standard standard simulation... -
Annealed Ir(ppy)2(acac):CBP organic thinfilm
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... -
Water diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic...
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...
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...
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). -
Spontaneous penetration of water into a vacuum deposited 6wt%...
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... -
Solution Processed 5wt% Ir(ppy)2(acac):CBP organic thinfilm
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... -
Oxygen diffusion in a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic...
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...
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...
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). -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A8 in GROMOS (replicate 2 of 2). -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A8 in GROMOS (replicate 1 of 2). -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A8 in GROMOS (replicate 3 of 3). -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A8 in GROMOS (replicate 2 of 3). -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A8 in GROMOS (replicate 1 of 3). -
Alpha-helical peptide YGA
Alpha-helical peptide YGA with GROMOS 54A8 in GROMOS (replicate 2 of 2). -
Alpha-helical peptide YGA
Alpha-helical peptide YGA with GROMOS 54A8 in GROMOS (replicate 1 of 2). -
Alpha-helical peptide YGA
Alpha-helical peptide YGA with GROMOS 54A8 in GROMOS (replicate 3 of 3). -
Alpha-helical peptide YGA
Alpha-helical peptide YGA with GROMOS 54A8 in GROMOS (replicate 2 of 3).