G. Bowman and V. S. Pande. Proceedings of the National Academy of Sciences, USA 107 10890-10895 (2010) ABSTRACT. Understanding molecular kinetics, and particularly protein folding, is a classic grand challenge…
Read moreG. Bowman and V. S. Pande. Journal of Computational and Theoretical Chemistry 6 787–794 (2010) ABSTRACT. Computer simulations can complement experiments by providing insight into molecular kinetics with atomic resolution.…
Read moreP. 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…
Read moreJ. 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…
Read moreV. 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…
Read moreG. 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…
Read morePeter 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…
Read moreAJ 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…
Read moreEJ 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…
Read moreV. 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…
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