1,131 datasets found

CYP199A4-F182L in complex with 4-phenylbenzoic acid with FF14SB+TIP3P in AMBER (replicate 1 of 4). https://doi.org/10.1002/chem.202201895

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...

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...

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 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...

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...

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).

Two Sup35 protofibrils (20x2) to study lateral protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 1 of 3).

Two Sup35 protofibrils (20x2) side-by-side shifted to study lateral protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 4 of 4).

Two Sup35 protofibrils (20x2) side-by-side shifted to study lateral protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 3 of 4).

Two Sup35 protofibrils (20x2) side-by-side shifted to study lateral protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 2 of 4).

Two Sup35 protofibrils (20x2) side-by-side shifted to study lateral protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 1 of 4).

Two Sup35 protofibrils (20x2) end-to-end to study protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 3 of 3).

Two Sup35 protofibrils (20x2) end-to-end to study protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 2 of 3).

Two Sup35 protofibrils (20x2) end-to-end to study protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 1 of 3).

Sup35 protofibril (20x2) end-to-end to study longitudinal protofibril assembly using MD with GROMOS 54A7 in GROMACS (1 replicate, 3 of 3).