C. Snow and V. S. Pande. Biophysical Journal, (2006) ABSTRACT: Using distributed molecular dynamics simulations we located 4 distinct folding transitions for a 39 residue beta-beta-alpha-beta protein fold. We introduce…
Read moreGuha Jayachandran, M. R. Shirts, S. Park, and V. S. Pande. Journal of Chemical Physics, (2006) ABSTRACT: We present a technique for biomolecular free energy calculations that exploits highly parallelized…
Read moreGuha Jayachandran, V. Vishal, and V. S. Pande. Journal of Chemical Physics (2006) SUMMARY: We have developed a new method which greatly extends Folding@home’s ability to simulate long timescales. This…
Read moreP. Kasson, N. Kelley, N. Singhal, M. Vrjlic, A. Brunger, and V. S. Pande. Proceedings of the National Academy of Sciences, USA SUMMARY: These first results describe work we’ve been…
Read moreIan T. Suydam, Christopher D. Snow, Vijay S. Pande, Steven G. Boxer. Science (2006) Full Text SUMMARY: The ability to quantitatively predict electric fields in proteins has remained a great…
Read moreL.T. Chong, W. C. Swope, J. W. Pitera, and V. S. Pande. Journal of Molecular Biology (2006) SUMMARY: Roughly half of all known cancers involve a mutation in a single…
Read moreS. Park and V. S. Pande. Journal of Chemical Physics (2006) SUMMARY: Markov State Models (MSM’s) have become a major part of how Folding@home calculations are performed. In particular, the…
Read moreYoung Min Rhee and Vijay S. Pande. Chemical Physics (2006) SUMMARY: How important are local chemical features of proteins during the folding process? We assess protein folding models with varying…
Read moreEric J. Sorin and Vijay S. Pande. JACS (2006) ABSTRACT: In striking contrast to simple polymer physics theory, which does not account for solvent effects, we find that physical confinement…
Read moreEric J. Sorin, Young Min Rhee, Michael R. Shirts, and Vijay S. Pande. Journal of Molecular Biology (2006) SUMMARY: How complicated is a helix, and how is the complexity of…
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