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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...

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 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, 323 K, neutral pH, simulated for 700 ns

24 copies of kalata B1 in SPC water with a punctured 957-POPC bilayer, simulated for 200ns

20 copies of kalata B1 in SPC water with a punctured 327-POPC bilayer, simulated for 200ns

16 copies of kalata B1 in SPC water with a punctured 315-POPC bilayer, simulated for 200ns

1x P-Triclosan (P-TCS) in SPC water, 100 nM NaCl, simulated for 2050 ns

1x M-Triclosan (M-TCS) in SPC water, 100 nM NaCl, simulated for 2050 ns

Hydrated 512-POPC lipid bilayer simulated for 1 microsecond

Hydrated 512-O3MPC lipid bilayer simulated for 450 ns

Hydrated 512-O2MPC lipid bilayer simulated for 450 ns

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 2).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 2).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 2).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 1 of 2).

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 2 of 2).

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 1 of 2).

Beta-hairpin peptide GB1 with GROMOS 54A7 in GROMOS (replicate 2 of 2).

Beta-hairpin peptide GB1 with GROMOS 54A7 in GROMOS (replicate 1 of 2).