Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Docking and Molecular Dynamics Simulations of Celastrol Binding to p23

  • Han, Sang-Hwa (Department of Biochemistry and Institute for Life Sciences, Kangwon National University)
  • Received : 2011.11.04
  • Accepted : 2011.11.09
  • Published : 2012.01.20
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References

  1. Kannaiyan, R.; Shanmugam, M. K.; Sethi, G. Cancer Lett. 2011, 303, 9. https://doi.org/10.1016/j.canlet.2010.10.025
  2. Hieronymus, H.; Lamb, J.; Ross, K. N.; Peng, X. P.; Clement, C.; Rodina, A.; Nieto, M.; Du, J.; Stegmaier, K.; Raj, S. M.; Maloney, K. N.; Clardy, J.; Hahn, W. C.; Chiosis, G.; Golub, T. R. Cancer Cell 2006, 10, 321. https://doi.org/10.1016/j.ccr.2006.09.005
  3. Sreeramulu, Sv; Gande, S. L.; Göbel, M.; Schwalbe, H. Angew. Chem. Int. Ed. 2009, 48, 5853. https://doi.org/10.1002/anie.200900929
  4. Chadli, A.; Felts, S. J.; Wang, Q.; Sullivan, W. P.; Botuyan, M. V.; Fauq, A.; Ramirez-Alvarado, M.; Mer, G. J. Biol. Chem. 2010, 285, 4224. https://doi.org/10.1074/jbc.M109.081018
  5. Kim, Y.; Kim, K.; Lee, H.; Han, S.; Lee, Y. S.; Choe, J.; Kim, Y. M.; Hahn, J. H.; Ro, J. Y.; Jeoung, D. Eur. J. Pharmacol. 2009, 612, 131. https://doi.org/10.1016/j.ejphar.2009.03.071
  6. Schuttelkopf, A. W.; van Aalten, D. M. F. Acta Crystallogr. 2004, D60, 1355.
  7. van Der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. J. Comput. Chem. 2005, 26, 1701. https://doi.org/10.1002/jcc.20291
  8. Lemkul, J. A.; Allen, W. J.; Bevan, D. R. J. Chem. Inf. Model 2010, 50, 2221. https://doi.org/10.1021/ci100335w
  9. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577. https://doi.org/10.1063/1.470117
  10. Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463. https://doi.org/10.1002/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H
  11. Bussi, G.; Donadio, D.; Parrinello, M. J. Chem. Phys. 2007, 126, 014101. https://doi.org/10.1063/1.2408420
  12. Parrinello, M.; Rahman, A. J. Chem. Phys. 1982, 76, 2662. https://doi.org/10.1063/1.443248
  13. Pettersen, E. F.; Goddard, T. D.; Huang, C. C.; Couch, G. S.; Greenblatt, D. M.; Meng, E. C.; Ferrin, T. E. J. Comput. Chem. 2004, 25, 1605. https://doi.org/10.1002/jcc.20084

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