ATP-bound P-gp inward facing, membrane-embedded conformation, Run B Pre-Equilibrated System Information

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ATP-bound P-gp inward facing, membrane-embedded conformation, Run B.<br>P-gp with Mg2+ and ATP in a POPC+cholesterol membrane, cluster analysis.<br><br>Click to toggle size.

Fig 1. ATP-bound P-gp inward facing, membrane-embedded conformation, Run B.
P-gp with Mg2+ and ATP in a POPC+cholesterol membrane, cluster analysis.

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NameATP-bound P-gp inward facing, membrane-embedded conformation, Run B
DescriptionP-gp with Mg2+ and ATP in a POPC+cholesterol membrane, cluster analysis
Temperature (K)300.0
Pressure (Bar)1.0
Equilibration time (ns)10.0
Time Step (ps)0.004
ProgramGROMACS 3.3.3
AuthorsMegan L. O'Mara
Literature Referencehttp://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0091916
Molecule box ID91

Affiliated molecules (1-4 of 4)

Molid  Formula  Iupac  Atoms  Charge  Curation  Details 
1731 None - 74 0 Manual*
1596 None - 3 0 Manual*
2671 None - 47 -3 Manual
1506 None - 134 0 Manual*
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