Rommie Amaro

2023

Abigail C. Dommer, Nicholas A. Wauer, Kyle J. Angle, Aakash Davasam, Patiemma Rubio, Man Luo, Clare K. Morris, Kimberly A. Prather, Vicki H. Grassian, and Rommie E. Amaro (2023): Revealing the Impacts of Chemical Complexity on Submicrometer Sea Spray Aerosol Morphology, ACS Central Science, American Chemical Society (ACS), Vol 9, Num 6, pp1088--1103

2020

Jacob D. Durrant, Sarah E. Kochanek, Lorenzo Casalino, Pek U. Ieong, Abigail C. Dommer, and Rommie E. Amaro (2020): Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism, ACS Central Science, American Chemical Society, Vol 6, Num 2, pp189-196

2019

Rommie Amaro, Lorenzo Casalino (2019): Influence Virulence and Transmissibility through the Computational Microscope, 2019 Blue Waters Annual Report, pp244-245
Kimberly Prather, Rommie Amaro (2019): Investigating the Climate-Relevant Impacts of Chemical Complexity in Marine Aerosols, 2019 Blue Waters Annual Report, pp288-289

2016

Rommie Amaro (2016): Virtual Flu, A Different Kind of Computer Virus, 2016 Blue Waters Annual Report, pp184-186

2015

Rommie Amaro (2015): Virtual Flu, A Different Kind of Computer Virus, 2015 Blue Waters Annual Report, pp128-129

Blue Waters Supercomputer Helps Tackle Pandemic Flu Simulations


Feb 26, 2020

The UC San Diego team built an all-atom, solvated and experimentally based integrative model of pH1N1, using this simulation to examine two binding sites on the flu’s viral proteins. While most viral simulations simplify in order to precisely model one target area for a drug, this simulation broke new ground by modeling the entire viral envelope of pH1N1 – over 160 million atoms – without sacrificing detail.


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Blue Waters Enables Massive Flu Simulations


Mar 24, 2016

Influenza is more than a seasonal nuisance leading to a few days of discomfort and a brief absence from school or work. According to the World Health Organization (WHO), the disease is responsible for hundreds of thousands of deaths each year and has the potential to mutate into a more virulent, contagious form that claims millions of lives (as happened in the 1918 “Spanish flu” pandemic). To better understand the influenza infection process and to explore novel opportunities for drug and vaccine development, the research team led by Rommie Amaro at the University of California, San Diego, constructed an atomic-resolution model of the entire influenza viral coat and simulated this 160-million-atom system on the Blue Waters supercomputer at NCSA.


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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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