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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... -
Muraymycin-MraY complex in lipid bilayer
Muraymycin in complex with MraY from Aquifex aeolicus embeded in a DPPC lipid bilayer ChemMedChem 2020, 15, 1429 – 1438 -
POPC_bilayer_1RTD1_repeat3
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 3 -
POPC_bilayer_1RTD1_repeat2
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 2 -
POPC_bilayer_1RTD1_repeat1
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 1 -
Bovine Serum Albumin Tip5P at neutral pH 3/3
A simulation of Bovine Serum Albumin [pdbid 3V03] in water (Tip5P) with amino acid protonation as to mimic pH 7 at room temperature without counterions. -
Bovine Serum Albumin Tip5P at neutral pH 2/3
A simulation of Bovine Serum Albumin [pdbid 3V03] in water (Tip5P) with amino acid protonation as to mimic pH 7 at room temperature without counterions. -
Bovine Serum Albumin spc/E at neutral pH 3/3
A simulation of Bovine Serum Albumin [pdbid 3V03] in water (spc/E) with amino acid protonation as to mimic pH 7 at room temperature without counterions. -
Bovine Serum Albumin spc/E at neutral pH 2/3
A simulation of Bovine Serum Albumin [pdbid 3V03] in water (spc/E) with amino acid protonation as to mimic pH 7 at room temperature without counterions. -
Bovine Serum Albumin spc/E at neutral pH 1/3
A simulation of Bovine Serum Albumin [pdbid 3V03] in water (spc/E) with amino acid protonation as to mimic pH 7 at room temperature without counterions. -
Hendra virus fusion protein neutral pH 3/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 7 physiological conditions. -
Hendra virus fusion protein neutral pH 2/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 7 physiological conditions. -
Hendra virus fusion protein neutral pH 1/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 7 physiological conditions. -
Hendra virus fusion protein low pH 3/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 3 in the late endosome/ lysosome. -
Hendra virus fusion protein low pH 2/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 3 in the late endosome/ lysosome. -
Hendra virus fusion protein low pH 1/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 3 in the late endosome/ lysosome. -
D6PC lipid bilayer
A lipid bilayer consisting of 512 D6PC molecules. Initiated from a smaller 128-lipid DLPC equilibrated bilayer with trimmed tails. Pore spontaneously form during the simulation. -
DLPC lipid bilayer
A lipid bilayer consisting of 512 DLPC molecules. Initiated from a smaller 128-lipid equilibrated bilayer. -
D8PC lipid bilayer
A lipid bilayer consisting of 512 D8PC molecules. Initiated from a smaller 128-lipid DLPC equilibrated bilayer with trimmed tails. Pore spontaneously form during the simulation.