Molecular Dynamics Group UQ - Organizations

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...
- mdp
- itp
- tpr
- ff.zip
- xtc
- gro
- log
- edr
- top
- pdb
Hen egg-white lysozyme

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:...
- trc.gz
- cnf
- log
- top
- pdb
- imd
- tre.gz
Hen egg-white lysozyme

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:...
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
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:...
- in
- nc
- inpcrd
- log
- mden
- prmtop
- pdb
Alpha-helical peptide YGG

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGG

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGG

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 3 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGG

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGG

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGA

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGA

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 1 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGA

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 3 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGA

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Alpha-helical peptide YGA

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 1 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Beta-hairpin peptide SES

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 2 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Beta-hairpin peptide SES

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 1 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Beta-hairpin peptide SES

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 3 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Beta-hairpin peptide SES

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 2 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Beta-hairpin peptide SES

Beta-hairpin peptide SES with GROMOS 54A7 in GROMOS (replicate 1 of 3).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb
Beta-hairpin peptide GB1

Beta-hairpin peptide GB1 with GROMOS 54A7 in GROMOS (replicate 2 of 2).
- imd
- trc.gz
- cnf
- log
- tre.gz
- top
- pdb

1,047 datasets found