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.
NIH shared instrumentation grant will fund a new high-performance computing cluster
PI Vincent Voelz is among a team of scientists who recently received a highly competitive shared-instrumentation grant from the National Institutes of Health (NIH). Ronald Levy, the Laura H ...
Posted Sep 17, 2015, 7:07 PM by Vincent Voelz
New paper on molecular simulation of MDM2-p53
Congrats to George Pantelopulos on the publication of his first-author paper "Microsecond simulations of MDM2 and its complex with p53 yield insight into force field accuracy and conformational dynamics ...
Posted Jul 17, 2015, 7:21 PM by Vincent Voelz
Asghar Razavi awarded 2015 Swern Fellowship
Asghar Razavi has been awarded the 2015 Swern Fellowship for outstanding graduate research in chemistry. Congrats Asghar!The Swern Fellowship was established as a memorial to Professor Daniel Swern, a ...
Posted Jul 17, 2015, 7:11 PM by Vincent Voelz
School on Molecular Dynamics and Enhanced Sampling Methods
On July 6-10, the Klein, Voelz and Levy labs successfully hosted a free School on Molecular Dynamics and Enhanced Sampling Methods, facilitated by the Institute of Computational Molecular Science ...
Posted Jul 17, 2015, 6:35 PM by Vincent Voelz
Using MSMs to study the effect of tryptophan mutations on folding
In a new paper, we describe
our efforts to use Markov State Models (MSMs) to study the how tryptophan
mutations affect the folding and conformational dynamics of a series of ...
Posted Apr 26, 2015, 2:30 PM by Vincent Voelz
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