Nina Singhal and Vijay S. Pande. Journal of Chemical Physics (2005) SUMMARY: We validate the new Markovian State Model (MSM) for describing protein dynamics, and show how to efficiently calculate…
Read moreHideaki Fujutani, Yoshiaki Tanida, Masakatsu Ito, Guha Jayachandran, Christopher D. Snow, Michael R. Shirts, Eric J. Sorin, and Vijay S. Pande Journal of Chemical Physics (2005) SUMMARY: Drug design calculations…
Read moreSanghyun Park, Randall J. Radmer, Teri E. Klein, and Vijay S. Pande. Journal of Computational Chemistry (2005) SUMMARY: Simulation of the collagen triple helix has been given less attention than…
Read moreMichael R. Shirts & Vijay S. Pande. Journal of Chemical Physics (2005) SUMMARY: We test new methods for free energy calculations — relevant for our computational drug design methodology. We…
Read moreMichael R. Shirts & Vijay S. Pande. Journal of Chemical Physics (2005) SUMMARY: This paper is a test of our methods for free energy calculation — critical to our computational…
Read moreSidney Elmer, Sanghyun Park, & Vijay S. Pande. Journal of Chemical Physics (2005) SUMMARY: Here, we lay out some of the first applications of a new method for future FAH…
Read moreSidney Elmer, Sanghyun Park, & Vijay S. Pande. Journal of Chemical Physics (2005) SUMMARY: Here, we lay out some new methodology for simulation for future FAH calculations. This new method,…
Read moreBojan Zagrovic, Jan Lipfert, Eric J. Sorin, Ian S. Millett, Wilfred F. van Gunsteren, Sebastian Doniach & Vijay S. Pande. Proceedings of the National Academy of Sciences (2005) SUMMARY: This…
Read moreChristopher D. Snow, Eric J. Sorin, Young Min Rhee, and Vijay S. Pande. Annual Review of Biophysics & Biomolecular Structure (2005) SUMMARY: Rather than reporting new data from the Folding@home…
Read moreEric J. Sorin and Vijay S. Pande. Journal of Computational Chemistry (2005) SUMMARY: How do the results of peptide simulations change with slight variations to the models employed? Here we…
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