Analysis of an ATP-induced conformational transition of ABC transporter MsbA using a coarse-grained model

Author:

Arai Naoki1,Furuta Tadaomi1,Sakurai Minoru1

Affiliation:

1. Center for Biological Resources and Informatics, Tokyo Institute of Technology

Publisher

Biophysical Society of Japan

Subject

General Medicine

Reference10 articles.

1. [10] Wilkens, S. Structure and mechanism of ABC transporters. F1000Prime Rep. 7, 14–22 (2015).

2. [14] Liu, H., Li, D., Youyong, L. & Hou, T. Atomistic molecular dynamics simulations of ATP-binding cassette transporters. WIREs Comput. Mol. Sci. 6, 255–265 (2016).

3. [15] Schlitter, J., Engels, M., Krüger, P., Jacoby, E. & Wollmer, A. Targeted Molecular Dynamics Simulation of Conformational Change-Application to the T↔R Transition in Insulin. Mol. Simul. 10, 291–308 (1993).

4. [16] Kästner, J. Umbrella sampling. WIREs Comput. Mol. Sci. 1, 932–942 (2011).

5. [18] Weng, J-W., Fan, K-N. & Wang, W-N. The conformational transition pathway of ATP binding cassette transporter MsbA revealed by atomistic simulations. J. Biol. Chem. 285, 3053–3063 (2010).

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