Specialties

Vincent Voelz

Associate Professor
Theory/Computation
Office: Beury 240
Phone: 215-204-1973
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Biography

2007-2011

2007

1999
Postdoctoral researcher, Stanford University

Ph.D. University of California, San Francisco

B.A. University of Minnesota

Interests

My research group is focused on using statistical mechanical and molecular simulation approaches, in close collaboration with experimentalists, to study the structure and dynamics of proteins and peptidomimetics.  From large numbers of simulation trajectories generated using distributed and/or high-performance computing platforms, we construct Markov State Models (MSMs) that describe conformational dynamics as a network of transitions between kinetically metastable states. Using these methods and others, we hope to better understand the protein folding reaction, and to predict and design the folding and binding properties of non-biological peptide mimics. 

Select Publications

Bridging microscopic and macroscopic mechanisms of p53-MDM2 binding using kinetic network models
Guangfeng Zhou, George A. Pantelopulos, Sudipto Mukherjee, and Vincent A. Voelz. Biophysical Journal (2017) 113 (4): 785–793.   doi:10.1016/j.bpj.2017.07.009
 
Molecular simulations and free-energy calculations suggest conformation-dependent anion binding to a cytoplasmic site as a mechanism for Na+/K+-ATPase ion selectivity
Asghar M. Razavi, Lucie Delemotte, Joshua R. Berlin, Vincenzo Carnevale, and Vincent A. Voelz. Journal of Biological Chemistry, (2017) 292: 12412-12423. doi:10.1074/jbc.M117.779090
 
A maximum-caliber approach to predicting perturbed folding kinetics due to mutations
Hongbin Wan, Guangfeng Zhou, and Vincent A. Voelz. Journal of Chemical Theory and Computation 12 (12): 5768–5776 (2016) doi:10.1021/acs.jctc.6b00938

​Kinetic network models of tryptophan mutations in β-hairpins reveal the importance of non-native interactions
Asghar M. Razavi and Vincent A. Voelz. Journal of Chemical Theory and Computation 11(6): 2801–2812 (2015)  DOI: 10.1021/acs.jctc.5b00088

Molecular simulation of conformational pre-organization in cyclic RGD peptides
Amanda E. Wakefield, William M. Wuest, and Vincent A. Voelz. Journal of Chemical Information and Modeling, 55 (4), pp 806–813 (2015) DOI: 10.1021/ci500768u

Surprisal metrics for quantifying perturbed conformational dynamics in Markov State Models
Vincent A Voelz, Brandon Elman, Asghar M Razavi, Guangfeng Zhou. Journal of Chemical Theory and Computation, 10 (12):5716–5728 (2014) DOI: 10.1021/ct500827g