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 …