Guha Jayachandran, V. Vishal, Angel E. Garcıa and V. S. Pande. Journal of Structural Biology, (2006) Local PDF ABSTRACT: Massively parallel all-atom, explicit solvent molecular dynamics simulations were used to…
Read moreC. 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 more