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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 -
1x pediocin PA-1 in water at pH 7 and 323 K 1/2
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns -
24x kalata B1 peptides with a POPC lipid bilayer (preformed pore) 1/2
24 copies of kalata B1 in SPC water with a punctured 957-POPC bilayer, simulated for 200ns -
20x kalata B1 peptides with a POPC lipid bilayer (preformed pore) 1/2
20 copies of kalata B1 in SPC water with a punctured 327-POPC bilayer, simulated for 200ns -
16x kalata B1 peptides with a POPC lipid bilayer (preformed pore) 1/2
16 copies of kalata B1 in SPC water with a punctured 315-POPC bilayer, simulated for 200ns -
1x P-Triclosan molecule in SPC water 1/2
1x P-Triclosan (P-TCS) in SPC water, 100 nM NaCl, simulated for 2050 ns -
1x M-Triclosan molecule in SPC water 1/2
1x M-Triclosan (M-TCS) in SPC water, 100 nM NaCl, simulated for 2050 ns -
POPC lipid bilayer 1/2
Hydrated 512-POPC lipid bilayer simulated for 1 microsecond -
O3MPC lipid bilayer 1/2
Hydrated 512-O3MPC lipid bilayer simulated for 450 ns -
O2MPC lipid bilayer 1/2
Hydrated 512-O2MPC lipid bilayer simulated for 450 ns -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 2). -
Alpha-helical peptide YGG
Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 2). -
Alpha-helical peptide YGA
Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 2). -
Alpha-helical peptide YGA
Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 1 of 2). -
Beta-hairpin peptide SES
Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 2 of 2). -
Beta-hairpin peptide SES
Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 1 of 2). -
Beta-hairpin peptide GB1
Beta-hairpin peptide GB1 with GROMOS 54A7 in GROMOS (replicate 2 of 2). -
Beta-hairpin peptide GB1
Beta-hairpin peptide GB1 with GROMOS 54A7 in GROMOS (replicate 1 of 2).
