Our group uses the tools of molecular simulation and statistical mechanics to investigate the structure, dynamics and function of biomolecules. Our goal is to devise new computational methods to design folding and binding properties of proteins and peptidomimetics from first principles.
A new XSEDE award for supercomputing resources
Good news: our renewal request for the XSEDE supercomputing allocation was renewed March 2017! The allocation, comprising over 6.2 million processor-hours on TACC Stampede, PSC Bridges and SDSC ...
Posted Mar 15, 2017, 8:24 AM by Vincent Voelz
New JCTC paper on MaxCal modeling of protein mutations
Congrats to Hongbin Wan and Guangfeng Zhou on their new paper published in the Journal of Chemical Theory and Computation! This new work describes a new statistical
mechanical technique to ...
Posted Nov 28, 2016, 4:10 PM by Vincent Voelz
Happy Halloween from the Voelz lab
Posted Oct 31, 2016, 3:09 PM by Vincent Voelz
New paper on MDM2: lid region dynamics and computational docking
Congrats to Sudipto Mukherjee and George Pantelopulos on their new paper published in Scientific Reports on MDM2 lid region dynamics and its role in computational docking. You can read a ...
Posted Sep 16, 2016, 11:32 AM by Vincent Voelz
Voelz Lab takes Philadelphia ACS Meeting by storm
Congrats to Voelz lab graduate students presenting at the 252nd National Meeting of the American Chemical Society in Philadelphia, PA, August 21-25, 2016Guangfeng Zhou, invited talk in PHYS ...
Posted Sep 7, 2016, 2:25 PM by Vincent Voelz
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