Gregory Voth

2020

Alvin Yu, Katarzyna A. Skorupka, Alexander J. Pak, Barbie K. Ganser-Pornillos, Owen Pornillos, and Gregory A. Voth (2020): TRIM5 alpha self-assembly and compartmentalization of the HIV-1 viral capsid, Nature Communications, Springer Nature Limited, Vol 11, Num 1

2019

Alexander J. Pak, John M. A. Grime, Alvin Yu, and Gregory A. Voth (2019): Off-Pathway Assembly: A Broad-Spectrum Mechanism of Action for Drugs That Undermine Controlled HIV-1 Viral Capsid Formation, Journal of the American Chemical Society, Vol 141, Num 26, pp10214-10224

2018

Jesper J. Madsen, John M. A. Grime, Jeremy S. Rossman, and Gregory A. Voth (2018): Entropic forces drive clustering and spatial localization of influenza A M2 during viral budding, Proceedings of the National Academy of Sciences, National Academy of Sciences, Vol 115, Num 37, ppE8595-E8603

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
Mijo Simunovic, Anđela Šarić, J. Michael Henderson, Ka Yee C. Lee, and Gregory A. Voth (2017): Long-Range Organization of Membrane-Curving Proteins, ACS Central Science, American Chemical Society, Vol 3, Num 12, pp1246-1253

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, Journal of Chemical Theory and Computation, American Chemical Society, Vol 10, Num 1, pp423-431

2013

James F. Dama, Anton V. Sinitskiy, Martin McCullagh, Jonathan Weare, Benoît Roux, Aaron R. Dinner, and Gregory A. Voth (2013): The Theory of Ultra-Coarse-Graining. 1. General Principles, Journal of Chemical Theory and Computation, American Chemical Society, Vol 9, Num 5, pp2466-2480

2019

Gregory Voth (2019): Multiscale Simulations of Complex Self-Assembling Biomolecules: Targeting HIV-1, 2019 Blue Waters Annual Report, pp312-313

2018

Gregory Voth (2018): Large-Scale Coarse-Grained Simulations of HIV-1: New Therapeutic Targets, 2018 Blue Waters Annual Report, pp258-259

2017

Gregory Voth (2017): Large-Scale Coarse-Grained Molecular Simulations of The Viral Lifecylce of HIV-1, 2017 Blue Waters Annual Report, pp248-249

2016

Gregory Voth (2016): Ultra-Coarse-Grained (UCG) Simulations of Viral Phenomena, 2016 Blue Waters Annual Report, pp240-241

2015

Gregory Voth (2015): Ultra-Coarse-Grained Biomolecular Simulations, 2015 Blue Waters Annual Report, pp174-175

John Grime: A Different Type of "Computer Virus"


Blue Waters Symposium 2017, May 16, 2017

NCSA releases 2017 Blue Waters Project Annual Report Detailing Innovative Research and Scientific Breakthroughs


Sep 1, 2017

The National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign released today the 2017 Blue Waters Project Annual Report. For the project’s fourth annual report, research teams were invited to present highlights from their research that leveraged Blue Waters, the National Science Foundation’s (NSF) most powerful system for sustained computation and data analysis. Spanning economics to engineering, geoscience to space science, Blue Waters has accelerated research and impact across an enormous range of science and engineering disciplines throughout its more than 4-year history covered by the report series. This year is no different.


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


Jun 20, 2016

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.


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NSF awards time on Blue Waters to seven new projects


Oct 1, 2014

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.


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Really big problems


Feb 17, 2014

“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.


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