Category: Papers

P. Eastman and V. S. Pande. Computing in Science and Engineering 12 34-39 (2010) SUMMARY. OpenMM is the key library which powers GPU computing in Folding@home. This paper discusses some…

J. Ponder, C. Wu, V. S. Pande, I. Haque, R. A. Distasio Jr., D. Lambrecht, M. Head-Gordon, G. Clark, M. Johnson, and T. Head-Gordon. J. Phys. Chem. B., 114 2549-2564…

V. Voelz, V. Singh, W. J. Wedemeyer, L. Lapidus, and V. S. Pande. Journal of the ACS, 132 4702–4709 (2010) ABSTRACT. While several experimental techniques now exist for characterizing protein…

G. Bowman, X. Huang, and V. S. Pande. Cell Research 20 622-630 (2010) ABSTRACT. Molecular kinetics underlies all biological phenomena and, like many other biological processes, may best be understood…

Peter M. Kasson, Erik Lindahl, and Vijay S. Pande. Journal of the American Chemical Society (2011) Epub 25 Feb. SUMMARY. Building on our previous simulations of membrane fusion, we have…

AJ DePaul, EJ Thompson, SS Patel, K Haldeman & EJ Sorin. Nucleic Acids Research (2010) 38, 4856-4867 (Featured Cover Article) SUMMARY. We continue to study a small but ubiquitous RNA…

EJ Thompson, AJ DePaul, SS Patel & EJ Sorin. PLoS ONE (2010) 5, e10056 SUMMARY. Our assessment of biophysical force fields as applied to helical peptides and proteins continues with…

V. S. Pande. Physical Review Letters (2010). SUMMARY. Recent work from detailed simulations of protein folding resulting from Folding@home have suggested some surprises and radical changes in how one conceptualizes…

G. R. Bowman and V. S. Pande. Proceedings of the National Academy of Sciences, USA (2010). SUMMARY. By analyzing recent results from Folding@home, we have found a set of general…

P. M. Kasson, E. Lindahl, and V. S. Pande. PLoS Computational Biology 6(6): e1000829 (2010). SUMMARY. Membrane fusion is a common underlying process critical to neurotransmitter release, cellular trafficking, and…