VMD-L Mailing List

From: Strahs, Dr. Daniel Bernard (dstrahs_at_pace.edu)
Date: Thu Dec 02 2021 - 09:49:34 CST

Congratulations !!! Always nice to see molecular analysis in the spotlight, and that was a wonderful accomplishment!
________________________________________
From: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of John Stone <johns_at_ks.uiuc.edu>
Sent: Wednesday, December 1, 2021 2:11 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: NYT article on SARS-CoV-2 aerosol+virion simulations w/ NAMD+VMD

Hi,
  I'm happy to share that today there's a nice NYT article
highlighting the work of a 50-person multi-institutional team of
researchers, led by Rommie Amaro's team at UCSD:
  https://urldefense.com/v3/__https://nam12.safelinks.protection.outlook.com/?url=https*3A*2F*2Fwww.nytimes.com*2Finteractive*2F2021*2F12*2F01*2Fscience*2Fcoronavirus-aerosol-simulation.html&amp;data=04*7C01*7C*7Cdf66db0aa1614f066dea08d9b55c2b15*7C0799c53eca9a49e88901064a6412a41d*7C0*7C0*7C637740229730087203*7CUnknown*7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0*3D*7C3000&amp;sdata=ohYoVrpQWnnPgXiF627SSOcRTKjKox*2FLCw0anh3wDhw*3D&amp;reserved=0__;JSUlJSUlJSUlJSUlJSUlJSUlJSUlJQ!!DZ3fjg!pdiyEHvSyLUc3O0Bi0D-ymuE1w53TRyNPpqr4TMbG-rNyXZQcWoO3VSpp7ShK6uVvQ$

I'm particularly proud that the article is packed with images and
movies made directly in VMD. The article shows one image I made w/ VMD
that set a new record for the largest QuickSurf representation
ever (I had to fix a few things in the code to do one this large!)
with over 1 billion atoms in the aerosol droplet+virion, combined
with VdW representation of all of the protein components.

The team's Supercomputing '21 Gordon Bell finalist presentation, link
to the paper in bioRxiv, and several key VMD movies are
all viewable here as well:
  https://urldefense.com/v3/__https://nam12.safelinks.protection.outlook.com/?url=http*3A*2F*2Fwww.ks.uiuc.edu*2FResearch*2Fgb21airborne*2F&amp;data=04*7C01*7C*7Cdf66db0aa1614f066dea08d9b55c2b15*7C0799c53eca9a49e88901064a6412a41d*7C0*7C0*7C637740229730087203*7CUnknown*7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0*3D*7C3000&amp;sdata=oJILGuyfD*2FaErgtr3*2B3HFZanw3oubIf4exK*2FGEULhRg*3D&amp;reserved=0__;JSUlJSUlJSUlJSUlJSUlJSUlJSUl!!DZ3fjg!pdiyEHvSyLUc3O0Bi0D-ymuE1w53TRyNPpqr4TMbG-rNyXZQcWoO3VSpp7SdOhrIMw$

Best regards,
  John Stone
  vmd_at_ks.uiuc.edu 

--
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
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