Category: Papers

J. Wagoner and V. S. Pande. Journal of Chemical Physics 134 214103 (2011) ABSTRACT. A common theme of studies using molecular simulation is a necessary compromise between computational efficiency and…

G. Bowman, V. Volez, and V. S. Pande. Current Opinion in Structural Biology 21 4-11 (2011) ABSTRACT. Protein folding is an important problem in structural biology with significant medical implications,…

G. Bowman, V. Voelz, and V. S. Pande. Journal of the American Chemical Society 133 664-667 (2011) ABSTRACT. Protein folding is a classic grand challenge that is relevant to numerous…

D. Lucent, C. Snow, and V. S. Pande. PLoS Computational Biology 6 e1000963 (2010) ABSTRACT. As nascent proteins are synthesized by the ribosome, they depart via an exit tunnel running…

P. Eastman and V. S. Pande. GPU Computing Gems (2010)

I. Haque and V. S. Pande. GPU Computing Gems (2010)

I. Haque and V. S. Pande. Resilience (2010) SUMMARY. GPU computing has great potential, but consumer GPUs lack some key features that are present in CPUs, especially error checking RAM.…

V. S. Pande, K. Beauchamp, and G. R. Bowman. Methods (2010) ABSTRACT. Simulating protein folding has been a challenging problem for decades due to the long timescales involved (compared with…

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…

G. 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.…