Nanotube confinement denatures protein helices.
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…
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The solvation interface is a determining factor in peptide conformational preferences.
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…
Read moreCan conformational change be described by only a few normal modes?
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…
Read moreHuntington’s Disease
The first papers on Folding@home results in regards to Huntington’s Disease were submitted.
Read moreSubmitting first paper
We are currently in the process of submitting our first paper on FAH results.
Read moreFirst paper submitted for peer review
We have submitted our first paper for peer review and we’re working on the next 2 paper right now. We’re very excited about the results!
Read morep53 presentation
FAH researcher Dr. Lillian Chong presented her work on p53 at a lecture at several US Universities.
Read moreHow large is alpha-helix in solution? Studies of the radii of gyration of helical peptides by SAXS and MD.
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)…
Read moreError Analysis in Markovian State Models for protein folding.
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 moreDirect calculation of the binding free energies of FKBP ligands using the Fujitsu BioServer massively parallel computer.
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…
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