| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 8300213 | Biochimica et Biophysica Acta (BBA) - Biomembranes | 2011 | 11 Pages |
Abstract
⺠We perform molecular dynamics simulations with two conformations of ABC transporters. ⺠Dynamics of the ATP/ATP and ATP/ADP bound outward-facing conformations differs. ⺠Outward-facing conformation can switch to MsbA-like bottom-closed apo conformation. ⺠The inward-facing structure may be a short-living transient conformation.
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Authors
Gergely Gyimesi, Srinivas Ramachandran, Pradeep Kota, Nikolay V. Dokholyan, Balázs Sarkadi, Tamás Hegedűs,