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News

Electric Fields at the Active Site of an Enzyme: Direct Comparison of Experiment with Theory.

October 4, 2006 by Viktor

Ian T. Suydam, Christopher D. Snow, Vijay S. Pande, Steven G. Boxer. Science (2006) Full Text SUMMARY: The ability to quantitatively predict electric fields in proteins has remained a great…

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Kinetic Computational Alanine Scanning: Application to p53 Oligomerization

October 4, 2006 by Viktor

L.T. Chong, W. C. Swope, J. W. Pitera, and V. S. Pande. Journal of Molecular Biology (2006) SUMMARY: Roughly half of all known cancers involve a mutation in a single…

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Validation of Markov state models using Shannon’s entropy.

October 4, 2006 by Viktor

S. Park and V. S. Pande. Journal of Chemical Physics (2006) SUMMARY: Markov State Models (MSM’s) have become a major part of how Folding@home calculations are performed. In particular, the…

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On the role of chemical detail in simulating protein folding kinetics.

October 4, 2006 by 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…

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Nanotube confinement denatures protein helices.

October 4, 2006 by Viktor

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.

October 4, 2006 by Viktor

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…

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Can conformational change be described by only a few normal modes?

October 4, 2006 by Viktor

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…

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Huntington’s Disease

September 19, 2006 by Folding@Home

The first papers on Folding@home results in regards to Huntington’s Disease were submitted.

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Submitting first paper

September 15, 2006 by Folding@Home

We are currently in the process of submitting our first paper on FAH results.

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First paper submitted for peer review

September 15, 2006 by Folding@Home

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!

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