Exploiting a natural conformational switch to engineer an interleukin-2 ‘superkine’
A. M. Levin, D. L. Bates, A. M. Ring, J. T. Lin, L. Su, C. Krieg, G. R. Bowman, P. Novick, V. S. Pande, H. E. Kohrt, O. Boyman, C.…
Read moreNews
Investigating how peptide length and a pathogenic mutation modify the structural ensemble of amyloid beta monomer
Y-S Lin, G. R. Bowman, K. Beauchamp, and V. S. Pande Biophysical Journal, volume 102, pages 315-324 (2012) ABSTRACT. The aggregation of amyloid beta (Aβ) peptides plays an important role…
Read moreA Simple Model Predicts Experimental Folding Rates and a Hub-Like Topology
T.J. Lane and V.S. Pande The Journal of Physical Chemistry B (2012) ABSTRACT. A simple model is presented that describes general features of protein folding, in good agreement with experimental…
Read moreDesign of β-Amyloid Aggregation Inhibitors from a Predicted Structural Motif
Paul A. Novick, Dahabada H. Lopes, Kim M. Branson, Alexandra Esteras-Chopo, Isabella A. Graef, Gal Bitan, and Vijay S. Pande Journal of Medicinal Chemistry (2012) SUMMARY. These results have been…
Read moreMechanistic and structural insight into the functional dichotomy between IL-2 and IL-15
Interleukin 15 (IL-15) and IL-2 have distinct immunological functions even though both signal through the receptor subunit IL-2Rβ and the common γ-chain (γ(c)). Here we found that in the structure of the IL-15-IL-15Rα-IL-2Rβ-γ(c) quaternary complex, IL-15 binds to IL-2Rβ and γ(c) in a heterodimer nearly indistinguishable from that of the IL-2-IL-2Rα-IL-2Rβ-γ(c) complex, despite their different receptor-binding chemistries. IL-15Rα substantially increased the affinity of IL-15 for IL-2Rβ, a…
Read moreNew Gromacs, new you
Guest post from Profs Kasson and Shirts, UVA and Mr. Coffland A new version of Gromacs (4.6) is coming, and we’re working to bring it to Folding@home. The new code…
Read moreReport on our progress towards our goal to develop new small molecule drug candidates for AD
We’re very excited to report on our progress towards our goal to develop new small molecule drug candidates for AD. In a paper just published in the Journal of Medicinal…
Read moreAssisting Chris Garcia’s lab with their work with Interleukin 2 (IL-2)
We assisted Chris Garcia’s lab with their work with Interleukin 2 (IL-2), a protein which assists the immune system in fighting pathogens and cancer tumors. While injecting a patient with…
Read moreSimulating forms of Pin1 WW domain
We are simulating many forms of Pin1 WW domain, a protein implicated in some cancers and Alzheimer’s disease. Understanding the role of mutations on misfolding can have important biomedical consequences.
Read moreStudying the folding of ubiquitin
We’re studying the folding of ubiquitin, a small regulatory protein found in almost all cells in human body. It is part of a large regulatory system that labels other unneeded…
Read more