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  • March 3, 2014
    Simbios Researchers Publish Study Identifying New Targets for Cancer Drug Design Using Simulations of the Protein c-src kinase
    Simbios researchers Diwakar Shukla and Vijay Pande have just published a study identifying new targets for cancer drug design using simulations of a protein called c-src kinase. C-src is one of the most-studied targets for cancer therapy. Their simulation analyses are the first to reach the timescales associated with c-src's activation and deactivation process. They also uncovered previously unknown variations of c-src, which can be used in the design of new drugs. The study also demonstrates for the first time the ability of Dr. Pande's Folding@Home ( distributed computing infrastructure to not just simulate molecular folding, but to reveal how a molecule's shape changes in response to external stimuli, such as the binding of a drug. Folding@Home currently has over 160,000 CPUs and GPUs computing 15 million billion calculations per second, on the order of what top supercomputers do. The study appeared on-line today in Nature Communications.

  • December 19, 2013
    Simbios Researchers and Google Generate Unprecedented Simulation of a GPCR
    Researchers at Stanford and Google have conducted an unprecedented, atom-scale simulation of the beta2 adrenergic receptor site's transformation, a feat that could have significant impact on drug design, and blaze the trail for specialized scientific projects on cloud computer systems.

  • October 15, 2013
    New Molecular Dynamics Method developed by past Visiting Scholar
    OpenMM Visiting Scholar Steffen Lindert and a team of researchers recently demonstrated a new accelerated molecular dynamics (aMD) implementation that enhances sampling of the conformational space of biomolecules by several orders of magnitude.

  • October 1, 2013
    Skin Growth’s Role in Reconstructive Surgery
    Simbios faculty Ellen Kuhl’s lab has developed skin growth modeling techniques that could improve reconstructive skin surgeries.

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