Author: Viktor

Young Min Rhee and Vijay S. Pande. Chemical Physics (2006) SUMMARY: How important are local chemical features of proteins during the folding process? We assess protein folding models with varying…

Eric J. Sorin and Vijay S. Pande. JACS (2006) ABSTRACT: In striking contrast to simple polymer physics theory, which does not account for solvent effects, we find that physical confinement…

Eric J. Sorin, Young Min Rhee, Michael R. Shirts, and Vijay S. Pande. Journal of Molecular Biology (2006) SUMMARY: How complicated is a helix, and how is the complexity of…

Paula Petrone and Vijay S. Pande. Biophysical Journal (2006) SUMMARY: In allosteric regulation, protein activity is altered when ligand binding (or unbinding) causes changes in the protein conformation. Little is…

Bojan Zagrovic, Guha Jayachandran, Ian S. Millett, Sebastian Doniach and Vijay S. Pande. Journal of Molecular Biology (2005) SUMMARY: Direct comparisons are made between Folding@home simulations and experimental measurements (SAXS)…

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…

Hideaki 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…

Sanghyun 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…

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…

Michael 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…