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Molecular Basis for Drug Resistance in HIV-1 Protease.
Ali A, Bandaranayake RM, Cai Y, King NM, Kolli M, Mittal S, Murzycki JF, Nalam MNL, Nalivaika EA, Özen A, Prabu-Jeyabalan MM, Thayer K, Schiffer CA. Ali A, et al. Among authors: cai y. Viruses. 2010 Nov;2(11):2509-2535. doi: 10.3390/v2112509. Epub 2010 Nov 12. Viruses. 2010. PMID: 21994628 Free PMC article.
Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease.
Cai Y, Myint W, Paulsen JL, Schiffer CA, Ishima R, Kurt Yilmaz N. Cai Y, et al. J Chem Theory Comput. 2014 Aug 12;10(8):3438-3448. doi: 10.1021/ct4010454. Epub 2014 Jun 12. J Chem Theory Comput. 2014. PMID: 25136270 Free PMC article.
Surprisingly this change in ensemble dynamics is different from that observed in the unliganded form of the same variant (Cai, Y. et al. J. Chem. Theory Comput.2012, 8, 3452-3462). Our comparative analysis of both inhibitor-free and bound states presents a comprehen …
Surprisingly this change in ensemble dynamics is different from that observed in the unliganded form of the same variant (Cai, Y
Modulation of HIV protease flexibility by the T80N mutation.
Zhou H, Li S, Badger J, Nalivaika E, Cai Y, Foulkes-Murzycki J, Schiffer C, Makowski L. Zhou H, et al. Among authors: cai y. Proteins. 2015 Nov;83(11):1929-39. doi: 10.1002/prot.24737. Epub 2015 Sep 29. Proteins. 2015. PMID: 25488402 Free PMC article.
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