Gregory Voth

University of Chicago

Biophysics

2017

Alexander J. Pak, John M. A. Grime, Prabuddha Sengupta, Antony K. Chen, Aleksander E. P. Durumeric, Anand Srivastava, Mark Yeager, John A. G. Briggs, Jennifer Lippincott-Schwartz, and Gregory A. Voth (2017): Immature HIV-1 Lattice Assembly Dynamics Are Regulated by Scaffolding from Nucleic Acid and the Plasma Membrane, Proceedings of the National Academy of Sciences, National Academy of Sciences

2016

John M. A. Grime, James F. Dama, Barbie K. Ganser-Pornillos, Cora L. Woodward, Grant J. Jensen, Mark Yeager, and Gregory A. Voth (2016): Coarse-Grained Simulation Reveals Key Features of HIV-1 Capsid Self-Assembly, Nature Communications, Springer Nature, Vol 7, pp11568

2014

John. M. A. Grime, and Gregory A. Voth (2014): Highly Scalable and Memory Efficient Ultra-Coarse-Grained Molecular Dynamics Simulations, J. Chem. Theory Comput., American Chemical Society (ACS), Vol 10, Num 1, pp423--431

2013

James F. Dama, Anton V. Sinitskiy, Martin McCullagh, Jonathan Weare, BenoƮt Roux, Aaron R. Dinner, and Gregory A. Voth (2013): The Theory of Ultra-Coarse-Graining. 1. General Principles, J. Chem. Theory Comput., American Chemical Society (ACS), Vol 9, Num 5, pp2466--2480
John Grime: Coarse-grained (CG) biomolecular simulations on Blue Waters
Blue Waters Symposium 2015, Dec 31, 1969

John Grime: A Different Type of "Computer Virus"


Blue Waters Symposium 2017, May 16, 2017

NSF awards time on Blue Waters to seven new projects

The National Science Foundation (NSF) has awarded 14 new allocations on the Blue Waters petascale supercomputer at the National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign. Seven of the awards are for new projects..

Really big problems

“We’re driven by solving really big problems,” says Greg Voth, the Haig P. Papazian Distinguished Service Professor of Chemistry at the University of Chicago. His research team uses multiscale computational simulation to study complex biomolecular, condensed phase, and novel materials systems. But these systems and processes are so complex that they are beyond the reach of molecular dynamics simulations that model every atom—even the largest simulations, containing tens of millions of atoms, can show only a fraction of a process in a living cell, for example. To simulate processes over greater time and length scales would require a new method..

This HIV computer model is ‘pretty darn close’ to reality

To combat viral diseases like HIV and Zika, scientists need to understand the “life cycle” of the virus and design drugs to interrupt it. But seeing what virus proteins do inside living cells is extremely difficult, even with the most powerful imaging technologies. Now scientists have developed an innovative supercomputer model of HIV that gives real insight into how a virus matures and becomes infective. “Understanding the details of viral maturation is considered a holy grail,” says Gregory Voth, a chemistry professor at the University of Chicago who built the model with research scientist John Grime..