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…
Read moreA. 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.…
Read moreY-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…
Read moreT.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…
Read morePaul 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…
Read moreInterleukin 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…
Read moreP. Novick, J. Rajadas, C.W. Liu, N. W. Kelley, M. Inayathullah, and V. S. Pande. PLoS ONE (2011) SUMMARY. It is believed that Alzheimer’s Disease results from the misfolding of…
Read moreS. Pronk, P. Larson, I. Pouya, G. Bowman, I. Haque, K. Beaucamp, B. Hess, V. S. Pande, P. M. Kasson, E. Lindahl. Supercomputing 2011, submitted (2011) Biomolecular simulation is a…
Read moreK. Beauchamp, D. Ensign, R. Das, and V. S. Pande. Proceedings of the National Academy of Sciences, USA, in press (2011) SUMMARY. We are constantly honing our methods to improve…
Read moreJ. Wagoner and V. S. Pande. Journal of Chemical Physics 134 214103 (2011) ABSTRACT. A common theme of studies using molecular simulation is a necessary compromise between computational efficiency and…
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