Breast Cancer and Her2 Kinase: Projects 9104-9114
We are continuing to make a big push into studying cancer. Next up, is work relevant for breast cancer. Specifically, we have started to study the Her2 Kinase, a part…
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A discussion of recent FAH work on ab initio nanoreactor
What’s an ab initio nanoreactor for? In an ab initio nanoreactor, molecules are allowed to react freely with each other over the course of the molecular dynamics simulation, and then…
Read moreAb initio nanoreactor discovers new reaction pathways
Some very exciting research by Pande Group members Lee-Ping Wang and Robert McGibbon in collaboration with the Martinez Lab was
Read moreBryostatin and Projects 9000-9015
Steven Ryckbosch, a graduate student in the Pande Group recently presented his work on Bryostatin. Folding@home projects 9000-9015 are running simulations to help answer the questions he has about it’s…
Read moreBowman lab update on vision
About four months ago, we started a new set of projects to understand the dynamics of some of the key proteins involved in vision. Now, we have about 600 microseconds…
Read moreProject 10470 and T4 Lysozyme
(Guest post by Kyle Beauchamp from the Chodera lab.) In the Chodera lab, we’d like to understand how drugs bind to proteins, particularly for challenging diseases such as cancer or…
Read moreActivation pathway of Src kinase reveals intermediate states as targets for drug design.
D. Shukla, Y. L. Meng, B. Roux, and V. S. Pande. Nat Commun 5 (2014) Unregulated activation of Src kinases leads to aberrant signalling, uncontrolled growth and differentiation of cancerous…
Read moreStatistical model selection for Markov models of biomolecular dynamics.
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…
Read moreDynamical Phase Transitions Reveal Amyloid-like States on Protein Folding Landscapes.
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…
Read moreDescribing protein folding via temperature-jump two-dimensional infrared spectroscopy and Markov state models.
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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