V. 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 moreWe have been pretty busy with new cores for FAH and I wanted to give donors an update. 1) SMP2: Gromacs and Desmond. Much effort has gone into our "SMP2"…
Read moreWe're monitoring the situation, but apparently Stanford's ISP is having some sort of issues. I'll update it here as the day goes on as we learn more.
Read moreTwo key parts of FAH technology — OpenMM (the software that powers FAH on GPUs) and MSMbuilder (the algorithms that FAH uses to stitch together hundreds of thousands of donor…
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