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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...

Hen egg-white lysozyme protein with GROMOS 45A4 in GROMOS (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1AKI, URL:...

Hen egg-white lysozyme protein with GROMOS 54A7 in GROMOS (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1AKI, URL:...

Hen egg-white lysozyme protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1AKI, URL:...

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 YGG with GROMOS 54A7 in GROMOS (replicate 3 of 3).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 3).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 3).

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).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 3 of 3).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 3).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 1 of 3).

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 SES with GROMOS 54A7 in GROMOS (replicate 3 of 3).

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 2 of 3).

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 1 of 3).

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