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Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
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HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J Am Chem Soc. 2008 May 14;130(19):6099-113. doi: 10.1021/ja076558p. Epub 2008 Apr 16.
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Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease.
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Enamino-oxindole HIV protease inhibitors.
Bioorg Med Chem Lett. 2012 Aug 1;22(15):5078-83. doi: 10.1016/j.bmcl.2012.05.120. Epub 2012 Jun 7.
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Coevolutionary analysis of resistance-evading peptidomimetic inhibitors of HIV-1 protease.
Proc Natl Acad Sci U S A. 1999 Feb 16;96(4):1369-74. doi: 10.1073/pnas.96.4.1369.
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Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope.
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Evolving Mutational Buildup in HIV-1 Protease Shifts Conformational Dynamics to Gain Drug Resistance.
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本文引用的文献

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Processing of X-ray diffraction data collected in oscillation mode.
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The molecular basis of drug resistance against hepatitis C virus NS3/4A protease inhibitors.
PLoS Pathog. 2012;8(7):e1002832. doi: 10.1371/journal.ppat.1002832. Epub 2012 Jul 26.
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Accessory mutations maintain stability in drug-resistant HIV-1 protease.
J Mol Biol. 2011 Jul 22;410(4):756-60. doi: 10.1016/j.jmb.2011.03.038.
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Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc Natl Acad Sci U S A. 2010 Dec 7;107(49):20986-91. doi: 10.1073/pnas.1006370107. Epub 2010 Nov 17.
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Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV.
J Chem Theory Comput. 2010 Apr 13;6(4):1358-1368. doi: 10.1021/ct9004678.
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Fifteen years of HIV Protease Inhibitors: raising the barrier to resistance.
Antiviral Res. 2010 Jan;85(1):59-74. doi: 10.1016/j.antiviral.2009.10.003. Epub 2009 Oct 22.
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