Comparison of the Molecular Dynamics and Calculated Binding Free Energies for Nine FDA-Approved HIV-1 PR Drugs Against Subtype B and C-SA HIV PR
Article first published online: 19 NOV 2012
© 2012 John Wiley & Sons A/S
Chemical Biology & Drug Design
Volume 81, Issue 2, pages 208–218, February 2013
How to Cite
Ahmed, S. M., Kruger, H. G., Govender, T., Maguire, G. E. M., Sayed, Y., Ibrahim, M. A. A., Naicker, P. and Soliman, M. E. S. (2013), Comparison of the Molecular Dynamics and Calculated Binding Free Energies for Nine FDA-Approved HIV-1 PR Drugs Against Subtype B and C-SA HIV PR. Chemical Biology & Drug Design, 81: 208–218. doi: 10.1111/cbdd.12063
- Issue published online: 10 JAN 2013
- Article first published online: 19 NOV 2012
- Accepted manuscript online: 28 SEP 2012 05:04AM EST
- Received 19 July 2012, revised 11 September 2012 and accepted for publication 15 September 2012
Appendix S1. Electrostatic and hydrogen bonding plots for the 18 inhibitor complexes (nine for each enzyme, Subtype B and C-SA HIV PR).
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