A recent story in ASCR Discovery highlights Anthony’s work using petascale simulations on the supercomputer Titan to understand antibiotic efflux in Gram-negative bacteria.
JC and Anthony (along with Chris Chipot, UIUC and Edina Rosta, King’s College) just completed a 5-day NAMD/VMD workshop in Dalian China at the Dalian Institute of Chemical Physics, hosted by Guohui Li. In addition to all the great science discussed and tutorials completed, they also ate some great food and took in the sights. Hopefully this is the first of many there!
The first ComSciCon Atlanta was held last week on the Georgia Tech campus. ComSciCon aims to help other graduate students learn novel ways of communicating science to other scientists and to the public. JC and graduate student Curtis Balusek (pictured) presented on VMD Lite as an example of conveying complex dynamical information about biomolecules in an easy-to-understand and visually appealing manner. See more examples of our outreach efforts here.
A joint study led by Raquel Lieberman in the School of Chemistry and Biochemistry at GT revealed both the structure and stabilizing mechanisms of the protein myocilin, which is present in the trabecular meshwork of the eye. In particular, simulations demonstrated the role of a key disulfide bond in resisting unfolding. See more about the story here and the paper here.
The lab is busy traveling the globe for a variety of meetings, including such beautiful places as Lausanne for a CECAM meeting on Drug Discovery, Paris for an NSF iPoLS meeting, and Santa Fe for a meeting on membranes and membrane proteins. But it’s not just about the vistas but also about spreading the word of all the great science we are doing!