The current benchmarking calculations for SMP and GPU projects are performed on different machines since originally the SMP cores could not perform the calculations that the GPUs cores could and vice…
Read moreLin YS, Pande VS. Biophysical Journal (Dec 2012) SUMMARY. This details some new results from Folding@home on Alzheimer’s Disease. ABSTRACT. Amyloid beta (Aβ) peptide plays an important role in Alzheimer’s…
Read moreRing AM, Lin JX, Feng D, Mitra S, Rickert M, Bowman GR, Pande VS, Li P, Moraga I, Spolski R, Ozkan E, Leonard WJ, Garcia KC. Natural Immunology (Dec 2012)…
Read moreWalker 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…
Read moreBeauchamp 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…
Read moreVoelz 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 more