Michael 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…
Read moreEric J. Sorin and Vijay S. Pande. Biophysical Journal (2005) SUMMARY: How good are our models for folding? This question is important to address in order to understand the usefulness…
Read moreEric J. Sorin, Young Min Rhee, and Vijay S. Pande. Biophysical Journal (2005) SUMMARY: While previous studies on the folding of nucleic acid hairpins have employed simplified models of either…
Read moreWe started a pilot study on Parkinson’s Disease, and started to look for further funding to continue our work in the area.
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