A. Beberg and V. S. Pande. ipdps, pp.1-8, IEEE International Symposium on Parallel & Distributed Processing (2009) ABSTRACT Accurate simulation of biophysical processes requires vast computing resources. Folding@home is a…
Read moreV. A. Voelz, E. Luttmann, G. R. Bowman, and V.S. Pande. International Journal of Molecular Sciences 10(3): 1013 (2009) ABSTRACT Recently a temperature-jump FTIR study of a designed three-stranded sheet…
Read moreVincent A. Voelz, Paula Petrone and Vijay S. Pande. Pacific Symposium on Biocomputing, 14:340-352 (2009) ABSTRACT We present a new multiscale method that combines all-atom molecular dy- namics with coarse-grained…
Read moreD. L. Ensign and V. S. Pande. Biophysical Journal 96 L53-55 (2009) ABSTRACT. We describe molecular dynamics simulations resulting in the folding the Fip35 Hpin1 WW domain. The simulations were…
Read moreM. S. Friedrichs, P. Eastman, V. Vaidyanathan, M. Houston, S. LeGrand, A. L. Beberg, D. L. Ensign, C. M. Bruns, V. S. Pande. J. Comp. Chem., (2009) SUMMARY. This paper…
Read moreNicholas W. Kelley, Xuhui Huang, Stephen Tam, Christoph Spiess, Judith Frydman and Vijay S. Pande. Journal of Molecular Biology (2009) SUMMARY. The aggregation of the Huntingtin (Htt) protein has been…
Read morePeter M. Kasson and Vijay S. Pande. Pacific Symposium on Biocomputing 14:492-503(2009). SUMMARY. The influenza hemagglutinin protein performs several important functions, including attaching the virus to cells it will infect…
Read moreEdgar Luttmann, Daniel L. Ensign, Vishal Vaidyanathan, Mike Houston, Noam Rimon, Jeppe Øland, Guha Jayachandran, Mark Friedrichs, Vijay S. Pande. Journal of Computational Chemistry (2009) SUMMARY. In this paper, we…
Read morePaula M. Petrone, Christopher D. Snow, Del Lucent, and Vijay S. Pande Proceedings of the National Academy of Sciences, USA 2008 SUMMARY The ribosome is a fascinating molecular machine, responsible…
Read moreNicholas W. Kelley, V. Vishal, Grant A. Krafft, and Vijay S. Pande J. Chem. Phys. 129, 214707 (2008); DOI:10.1063/1.3010881 SUMMARY. Abeta misfolding and aggregation is believed to be the cause…
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