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Walker JR, Novick PA, Parsons WH, McGregor M, Zablocki J, Pande VS, Du Bois J. Proceedings of the National Academy of Sciences, USA (Dec 2012) SUMMARY. Here we use molecular…

Beauchamp KA, McGibbon R, Lin YS, Pande VS. Proceedings of the National Academy of Sciences, USA (Oct 2012) SUMMARY. Markov State Models (MSMs) have been very helpful in analyzing protein…

Voelz VA, Jäger M, Yao S, Chen Y, Zhu L, Waldauer SA, Bowman GR, Friedrichs M, Bakajin O, Lapidus LJ, Weiss S, Pande VS. Journal of the American Chemical Society…

A. M. Levin, D. L. Bates, A. M. Ring, J. T. Lin, L. Su, C. Krieg, G. R. Bowman, P. Novick, V. S. Pande, H. E. Kohrt, O. Boyman, C.…

Y-S Lin, G. R. Bowman, K. Beauchamp, and V. S. Pande Biophysical Journal, volume 102, pages 315-324 (2012) ABSTRACT. The aggregation of amyloid beta (Aβ) peptides plays an important role…

T.J. Lane and V.S. Pande The Journal of Physical Chemistry B (2012) ABSTRACT. A simple model is presented that describes general features of protein folding, in good agreement with experimental…

Paul A. Novick, Dahabada H. Lopes, Kim M. Branson, Alexandra Esteras-Chopo, Isabella A. Graef, Gal Bitan, and Vijay S. Pande Journal of Medicinal Chemistry (2012) SUMMARY. These results have been…

Interleukin 15 (IL-15) and IL-2 have distinct immunological functions even though both signal through the receptor subunit IL-2Rβ and the common γ-chain (γ(c)). Here we found that in the structure of the IL-15-IL-15Rα-IL-2Rβ-γ(c) quaternary complex, IL-15 binds to IL-2Rβ and γ(c) in a heterodimer nearly indistinguishable from that of the IL-2-IL-2Rα-IL-2Rβ-γ(c) complex, despite their different receptor-binding chemistries. IL-15Rα substantially increased the affinity of IL-15 for IL-2Rβ, a…