Conxunto de datos - ATB Repository

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
- mdp
- itp
- xtc
- tpr
- log
- edr
- top
- ndx
- gro
DPPC lipid bilayer 3/3

Hydrated 288-DPPC lipid bilayer simulated for 400 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
DPPC lipid bilayer 2/3

Hydrated 288-DPPC lipid bilayer simulated for 400 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
DPPC lipid bilayer 1/3

Hydrated 288-DPPC lipid bilayer simulated for 400 ns
- mdp
- itp
- xtc
- tpr
- log
- edr
- top
- ndx
- gro
PPPC lipid bilayer 3/3

Hydrated lipid bilayer of 288 1-((2S,4S,6S,8S,10S)-2,4,6,8,10-pentamethylpalmitoyl)-2-palmitoyl-sn-glycero-3-phosphocholine (PPPC) simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
PPPC lipid bilayer 2/3

Hydrated lipid bilayer of 288 1-((2S,4S,6S,8S,10S)-2,4,6,8,10-pentamethylpalmitoyl)-2-palmitoyl-sn-glycero-3-phosphocholine (PPPC) simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
PPPC lipid bilayer 1/3

Hydrated lipid bilayer of 288 1-((2S,4S,6S,8S,10S)-2,4,6,8,10-pentamethylpalmitoyl)-2-palmitoyl-sn-glycero-3-phosphocholine (PPPC) simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
NPPC lipid bilayer 3/3

Hydrated lipid bilayer of 288 1-neostearoyl-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
NPPC lipid bilayer 2/3

Hydrated lipid bilayer of 288 1-neostearoyl-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
NPPC lipid bilayer 1/3

Hydrated lipid bilayer of 288 1-neostearoyl-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M8PPC lipid bilayer 3/3

Hydrated lipid bilayer of 288 1-(S-8-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
M8PPC lipid bilayer 2/3

Hydrated lipid bilayer of 288 1-(S-8-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
M8PPC lipid bilayer 1/3

Hydrated lipid bilayer of 288 1-(S-8-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M6PPC lipid bilayer 3/3

Hydrated lipid bilayer of 288 1-(S-6-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M6PPC lipid bilayer 2/3

Hydrated lipid bilayer of 288 1-(S-6-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M6PPC lipid bilayer 1/3

Hydrated lipid bilayer of 288 1-(S-6-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M4PPC lipid bilayer 3/3

Hydrated lipid bilayer of 288 1-(S-4-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M4PPC lipid bilayer 2/3

Hydrated lipid bilayer of 288 1-(S-4-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M4PPC lipid bilayer 1/3

Hydrated lipid bilayer of 288 1-(S-4-methylpalmitoyl)-2-palmitoylPC simulated for 350 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro
M3PPC lipid bilayer 3/3

Hydrated lipid bilayer of 288 1-(S-3-methylpalmitoyl)-2-palmitoylPC simulated for 400 ns
- mdp
- itp
- xtc
- log
- edr
- top
- ndx
- tpr
- gro

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37 datasets found