Similar articles for PMID: 26872937

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1

Flap Dynamics in Aspartic Proteases: A Computational Perspective.

Mahanti M, Bhakat S, Nilsson UJ, Söderhjelm P. Mahanti M, et al. Chem Biol Drug Des. 2016 Aug;88(2):159-77. doi: 10.1111/cbdd.12745. Epub 2016 Mar 15. Chem Biol Drug Des. 2016. PMID: 26872937

2

On the orientation of the catalytic dyad in aspartic proteases.

Friedman R, Caflisch A. Friedman R, et al. Proteins. 2010 May 1;78(6):1575-82. doi: 10.1002/prot.22674. Proteins. 2010. PMID: 20112416

3

Closing of the flaps of HIV-1 protease induced by substrate binding: a model of a flap closing mechanism in retroviral aspartic proteases.

Tóth G, Borics A. Tóth G, et al. Biochemistry. 2006 May 30;45(21):6606-14. doi: 10.1021/bi060188k. Biochemistry. 2006. PMID: 16716071

4

Sequence, Structural Analysis and Metrics to Define the Unique Dynamic Features of the Flap Regions Among Aspartic Proteases.

McGillewie L, Ramesh M, Soliman ME. McGillewie L, et al. Protein J. 2017 Oct;36(5):385-396. doi: 10.1007/s10930-017-9735-9. Protein J. 2017. PMID: 28762197 Review.

5

Unraveling HIV protease flaps dynamics by Constant pH Molecular Dynamics simulations.

Soares RO, Torres PHM, da Silva ML, Pascutti PG. Soares RO, et al. J Struct Biol. 2016 Aug;195(2):216-226. doi: 10.1016/j.jsb.2016.06.006. Epub 2016 Jun 10. J Struct Biol. 2016. PMID: 27291071 Free article.

6

Flap flexibility amongst plasmepsins I, II, III, IV, and V: Sequence, structural, and molecular dynamics analyses.

McGillewie L, Soliman ME. McGillewie L, et al. Proteins. 2015 Sep;83(9):1693-705. doi: 10.1002/prot.24855. Epub 2015 Aug 1. Proteins. 2015. PMID: 26146842

7

Flap opening mechanism of HIV-1 protease.

Tóth G, Borics A. Tóth G, et al. J Mol Graph Model. 2006 May;24(6):465-74. doi: 10.1016/j.jmgm.2005.08.008. Epub 2005 Sep 26. J Mol Graph Model. 2006. PMID: 16188477

8

Interchain hydrophobic clustering promotes rigidity in HIV-1 protease flap dynamics: new insights from molecular dynamics.

Meher BR, Kumar MV, Bandyopadhyay P. Meher BR, et al. J Biomol Struct Dyn. 2014;32(6):899-915. doi: 10.1080/07391102.2013.795873. Epub 2013 Jun 20. J Biomol Struct Dyn. 2014. PMID: 23782135

9

The binding landscape of plasmepsin V and the implications for flap dynamics.

L M, Soliman ME. L M, et al. Mol Biosyst. 2016 Apr 26;12(5):1457-67. doi: 10.1039/c6mb00077k. Mol Biosyst. 2016. PMID: 26965894

10

pH-REMD simulations indicate that the catalytic aspartates of HIV-1 protease exist primarily in a monoprotonated state.

McGee TD Jr, Edwards J, Roitberg AE. McGee TD Jr, et al. J Phys Chem B. 2014 Nov 6;118(44):12577-85. doi: 10.1021/jp504011c. Epub 2014 Oct 23. J Phys Chem B. 2014. PMID: 25340507

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