A powerful method to understand folding and conformational change in proteins has been the Markov State Model (MSM) approach, in which protein dynamics can be described as a network of…
Read moreI’m happy to announce that Folding@home has been awarded a Compute The Cure Award from NVIDIA. Â Their financial support will help build key new infrastructure in Folding@home as well as…
Read moreWe 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…
Read moreWhat’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 moreSome very exciting research by Pande Group members Lee-Ping Wang and Robert McGibbon in collaboration with the Martinez Lab was
Read moreSteven 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 moreAbout 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 more(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 moreD. 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 moreR. 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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