Pre-Equilibrated Systems

Pre-Equilibrated Systems in Various Phases (1-70 of 70)

Id  System  Description  Equilibration (ns)  Program >
90 Vancomycin and lipid ... Vancomycin spontenou ... 50.0 GROMACS 4.0.2
27 DLPC bilayer Hydrated 128-DLPC bi ... 350.0 GROMACS 3.2.1
28 DLPC bilayer Hydrated 128-DLPC bi ... 350.0 GROMACS 3.2.1
29 DMPC bilayer Hydrated 128-DMPC bi ... 235.0 GROMACS 3.2.1
30 DOPC bilayer Hydrated 128-DOPC bi ... 300.0 GROMACS 3.2.1
31 POPC bilayer Hydrated 128-POPC bi ... 250.0 GROMACS 3.2.1
32 DPPC bilayer Hydrated 128-DPPC bi ... 190.0 GROMACS 3.2.1
75 DPPC bilayer Hydrated 128-DPPC bi ... 100.0 GROMACS 3.3.3
76 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
77 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
78 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
79 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
80 DOPC Hydrated 128-DOPC bi ... 100.0 GROMACS 3.3.3
81 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
82 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
83 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
84 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
85 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
91 ATP-bound P-gp inwar ... P-gp with Mg2+ and A ... 10.0 GROMACS 3.3.3
92 Membrane-embedded P- ... P-gp with Mg2+ and A ... 0.0 GROMACS 3.3.3
93 ATP-bound P-gp asymm ... P-gp with Mg2+ and A ... 0.0 GROMACS 3.3.3
94 ATP-bound P-gp asymm ... P-gp with Mg2+ and A ... 0.0 GROMACS 3.3.3
74 50 Perc Vol TFE TFE and water volume ... 2.0 GROMACS 3.3.3 mdrun
73 DPC micelle DPC micelle composed ... 0.0 GROMACS 3.3.3 mdrun
86 Membrane-embedded P- ... central P-gp structu ... 300.0 gromacs 3.3.3 mdrun
88 P-gp with NCP, ATP i ... P-gp with NCP, ATP i ... 5.0 gromacs 3.3.3 mdrun
95 Lipid II in POPC mem ... System contain 3 lip ... 10.0 GROMACS 4.0.7
2 512 methanol Rectangular box; 512 ... 0.5 gromos96
3 512 ethanol Rectangular box; 512 ... 0.5 gromos96
4 512 ethane amine Rectangular box; 512 ... 0.5 gromos96
5 512 ethane-1,2-diami ... Rectangular box; 512 ... 0.5 gromos96
6 512 diethylamine Rectangular box; 512 ... 0.5 gromos96
7 343 diethylether Rectangular box; 343 ... 0.5 gromos96
8 512 butylamine Rectangular box; 512 ... 0.5 gromos96
9 512 2-propanol Rectangular box; 512 ... 0.5 gromos96
10 512 aceton Rectangular box; 512 ... 0.5 gromos96
11 512 acetic acid Rectangular box; 512 ... 0.5 gromos96
12 512 methyl ethyl est ... Rectangular box; 512 ... 0.5 gromos96
14 512 N-methylacetamid ... Rectangular box; 512 ... 0.5 gromos96
15 512 ethyl acetate Rectangular box; 512 ... 0.5 gromos96
16 512 3-pentanon Rectangular box; 512 ... 0.5 gromos96
17 343 toluene Rectangular box; 343 ... 0.5 gromos96
18 512 propyl acetate Rectangular box; 512 ... 0.5 gromos96
19 512 ethylpropanoate Rectangular box; 512 ... 0.5 gromos96
20 512 ethylbutanoate Rectangular box; 512 ... 0.5 gromos96
21 512 butyl acetate Rectangular box; 512 ... 0.5 gromos96
22 512 ethyl glycol dip ... Rectangular box; 512 ... 0.5 gromos96
23 512 glycerol triprop ... Rectangular box; 512 ... 0.5 gromos96
24 512 Cyclohexane Rectangular box; 512 ... 0.5 GROMOS96
70 1000 Chloroform Rectangular box; 100 ... 3.0 gromos96
69 1000 Methanol Rectangular box; 100 ... 2.0 gromos96
71 1000 Carbon tetrachl ... Rectangular box; 100 ... 5.5 gromos96
67 1024 DMSO Rectangular box; 102 ... 1.0 gromos96
66 512 Dimethylether Rectangular box; 512 ... 2.0 gromos96
65 512 2-methyl-2-butan ... Rectangular box; 512 ... 2.0 gromos96
64 512 2-methyl-2-prop ... Rectangular box; 512 ... 2.0 gromos96
63 512 cyclohexanol Rectangular box; 512 ... 2.0 gromos96
44 512 octanol Rectangular box; 512 ... 2.0 gromos96
45 512 heptanol Rectangular box; 512 ... 2.0 gromos96
46 512 2-butanol Rectangular box; 512 ... 2.0 gromos96
47 512 2-pentanol Rectangular box; 512 ... 2.0 gromos96
48 512 3-pentanol Rectangular box; 512 ... 2.0 gromos96
62 512 hexanol Rectangular box; 512 ... 2.0 gromos96
61 512 pentanol Rectangular box; 512 ... 2.0 gromos96
60 512 butanol Rectangular box; 512 ... 2.0 gromos96
59 512 (2-propanol) Rectangular box; 512 ... 2.0 gromos96
58 512 (1-propanol) Rectangular box; 512 ... 2.0 gromos96
57 512 ethanol Rectangular box; 512 ... 2.0 gromos96
56 512 methanol Rectangular box; 512 ... 2.0 gromos96
89 512 acetone Rectangular box; 512 ... 0.5 gromos96
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