S. Pronk, P. Larson, I. Pouya, G. Bowman, I. Haque, K. Beaucamp, B. Hess, V. S. Pande, P. M. Kasson, E. Lindahl. Supercomputing 2011, submitted (2011) Biomolecular simulation is a…
Read moreK. Beauchamp, D. Ensign, R. Das, and V. S. Pande. Proceedings of the National Academy of Sciences, USA, in press (2011) SUMMARY. We are constantly honing our methods to improve…
Read moreJ. 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…
Read moreG. 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,…
Read moreG. 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…
Read moreD. 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…
Read moreP. Eastman and V. S. Pande. GPU Computing Gems (2010)
Read moreI. Haque and V. S. Pande. GPU Computing Gems (2010)
Read moreI. 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.…
Read moreV. 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…
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