The Shirts group will be moving to the Chemical and Biological Engineering department at the University of Colorado Boulder this fall. Stay tuned for more information on the move.
May 2015: Congratulations to students moving on from the Shirts Group! Joe Basconi is graduating with a Ph.D., and will be working at Amgen. Mitch Slovin will be getting his B.S. and working for Eli Lily!
May 2015: Levi Naden has a new paper out in J. Chem. Theory Comput. on optimal ways to insert particles for free energy calculations.
April 2015: Alex Yang was featured in a Research Spotlight in the Spring 2015 Spectra, the U. Va. undergraduate research journal.
April 2015: Congratulations to Drew Biederman for winning both a Harrison Undergraduate Research Award and a Blue Waters Student Internship!
April 2015: Congratulations to Joe Basconi for a successful defense of his Ph.D. dissertation, and for recieving the departmental Louis T. Rader award, given to a graduating student who demonstrates academic promise, the ability to work hard, and the ability to get along with others.
April 2015: Congratulations to group alumni Jacob Monroe for his NSF Graduate Fellowship award, and current group member Natalie Schieber for her honorable mention in the NSF Graduate Fellowship program!
March 2015: Check out new papers on best practices for free energy simulations (a collaboration with the Mobley group at UC-Irvine), and by Joe Basconi on modeling of protein purification in polymer-grafted chromatographic materials in Langmuir.
October 2014:Congratulations to Joe Basconi on his new paper in the AIChE Journal!
Rivanna, a new 4800 node computing cluster is unveiled at U.Va. this week.
Congratulations to undergraduate Mitch Slovin for winning an ARCS Metro Washington scholarship, one of two undergrad winners at U.Va.
The Shirts group was awarded a $100K grant by the Jeffress Trust Awards Program to develop computational methods for the quantitative prediction of drug binding to human serum albumin (HSA) and other blood serum proteins as part of the drug design process.
Congratulations to undergraduates Jacob Monroe, Yanzhi Yang, and Ellen Zhong on their graduation! Jacob will be starting graduate school in chemical engineering at UC-Santa Barbara, Yanzhi will be working at Merck, and Ellen will be working at D. E. Shaw Research. This has been a great crop of students, with three first author papers, four papers overall, and a couple more still getting finished off.
Congratulations as well to Himanshu Paliwal, who finished his Ph.D. earlier in the semester but was officially awarded his doctorate at graduation.
Congratulations to undergraduate Ellen Zhong on her first-author paper published in Langmuir on the coupled thermodynamics of protein binding and adsorption on surfaces, and to undergraduate Jacob Monroe for his paper published in J. Comput. Aid. Mol. Des. on converging host-guest binding affinities.
Prof. Michael Shirts received an NSF CAREER award to develop new simulations methods to help understand and make predictions about small molecule drug in their solid form. Congratulations to graduate student Levi Naden, whose first paper, on methods for optimally calculating free energy differences in fluids, was published in J. Chem. Theory Comput. and to Mitch Slovin, for receiving one of 39 Harrison undergraduate research awards for his work on designing superhydrophobic surfaces.
Congratulations to Himanshu Paliwal on his successful Ph.D. defense! Himanshu will be starting a job in April at the RTI International research institute in Raleigh, NC.