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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... -
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 -
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 -
Hen egg-white lysozyme
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:... -
Insulin
Insulin protein with GROMOS DIMER in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 5ENA, URL: https://www.rcsb.org/structure/5ENA -
Insulin
Insulin protein with GROMOS DIMER in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 5ENA, URL: https://www.rcsb.org/structure/5ENA -
Insulin
Insulin protein with GROMOS DIMER in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 5ENA, URL: https://www.rcsb.org/structure/5ENA -
Insulin
Insulin protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Note that although this protein occurs as a dimer, only one unit was simulated. Initial structure obtained from the... -
Insulin
Insulin protein with GROMOS 54A7 in AMBER (replicate 2 of 3). Note that although this protein occurs as a dimer, only one unit was simulated. Initial structure obtained from the... -
Insulin
Insulin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Note that although this protein occurs as a dimer, only one unit was simulated. Initial structure obtained from the... -
Protein Sis1
Protein Sis1 with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4RWU, URL: https://www.rcsb.org/structure/4RWU -
Protein Sis1
Protein Sis1 with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4RWU, URL: https://www.rcsb.org/structure/4RWU -
Protein Sis1
Protein Sis1 with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4RWU, URL: https://www.rcsb.org/structure/4RWU -
Putative Glutaminyl cyclase
Putative Glutaminyl cyclase protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4MHP, URL:... -
Putative Glutaminyl cyclase
Putative Glutaminyl cyclase protein with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4MHP, URL:... -
Putative Glutaminyl cyclase
Putative Glutaminyl cyclase protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4MHP, URL:... -
L-ShK toxin
L-ShK toxin protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4LFQ, URL:... -
L-ShK toxin
L-ShK toxin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4LFQ, URL:... -
Xylanase CDBFV, mutant E109A
Xylanase CDBFV, mutant E109A protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3WP5, URL:... -
Xylanase CDBFV, mutant E109A
Xylanase CDBFV, mutant E109A protein with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3WP5, URL:...
