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News

Statistical model selection for Markov models of biomolecular dynamics.

October 21, 2014 by Tor Raswill

R. T. McGibbon, C. R. Schwantes, and V. S. Pande. J Phys Chem B. 118 6475-81 (2014) Markov state models provide a powerful framework for the analysis of biomolecular conformation…

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Dynamical Phase Transitions Reveal Amyloid-like States on Protein Folding Landscapes.

October 21, 2014 by Tor Raswill

J. K. Weber, R. L. Jack, C. R. Schwantes, and V. S. Pande. Biophys J. 107(4) 974-82 (2014). Developing an understanding of protein misfolding processes presents a crucial challenge for…

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Describing protein folding via temperature-jump two-dimensional infrared spectroscopy and Markov state models.

October 21, 2014 by Tor Raswill

C. R. Baiz, Y.-S. Lin, C. S. Peng, K. A. Beauchamp, V. A. Voelz, V. S. Pande, and A. Tokmakoff. Biophysical Journal, 106 1359-1370 (2014) The folding mechanism of the…

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Cloud-based simulations on Google Exacycle reveal ligand-modulation of GPCR activation pathways.

October 21, 2014 by Tor Raswill

K. J. Kohlhoff*, D. Shukla*, M. Lawrenz*, G. R. Bowman, D. E. Konerding, D. Belov, R, B. Altman, and V. S. Pande.  Nature Chemistry 6 15-21 (2014) We applied methods developed and honed…

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New projects to help design selective inhibitors of protein methyltransferases

October 20, 2014 by John Chodera

The Chodera lab has teamed up with Luo lab at MSKCC to study another important class of cancer targets: protein methyltransferases. These are protein-modifying enzymes that catalyze the transfer of…

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Investigating conformations accessible by Abl kinase- drug target for chronic myelogenous leukemia

October 13, 2014 by Vijay Pande

Guest post by Sonya Hanson, postdoc in the Chodera lab. (Project 10472) We’re working our way through the kinase family here at the Chodera lab. You may have seen Danny’s…

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A new project to study early folding events in apomyoglobin

October 10, 2014 by Vincent Voelz

In a new NSF-funded collaboration, the Voelz Lab is working with the Roder Lab at Fox Chase Cancer Center to study early folding events in apomyoglobin. Apomyoglobin (myoglobin without the…

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Combining simulation and experiments to solve molecular structures

October 8, 2014 by Vincent Voelz

The Voelz lab has been making progress on combining simulation and experiments to solve molecular structures. Most molecules do not have a single rigid structure in solvent. Instead, they exist…

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foldingathome.org going down at 1pm pacific time for planned maintenance.

October 7, 2014 by Vijay Pande

foldingathome.org going down at 1pm pacific time for planned maintenance.   We expect it will be down for about 30 minutes.

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Native Client WUs down, we're working on it

October 6, 2014 by Vijay Pande

The Native Client WUs are down, we’re working on it.  This one may take a day or two for us to resolve.  We’ll keep donors posted as we know more.

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