AI Draws World's Smallest Wanted Posters to Apprehend COVID
16/10/2020
When the pandemic hit, it was terrible for the world, and a big research challenge for us, said Dill, who leads the Laufer Center for Physical & Quantitative Biology at Stony Brook University, in Long Island, New York.
For a decade, he helped the center assemble the researchers and tools needed to study the inner workings of proteins - complex molecules that are fundamental to cellular life. The center has a history of applying its knowledge to viral proteins, helping others identify drugs to disable them.
So, when the pandemic came, our folks wanted to spring into action, he said.
AI, Simulations Meet at the Summit The team aimed to use a combination of physics and AI tools to predict the 3D structure of more than a dozen coronavirus proteins based on lists of the amino acid strings that define them. It won a grant for time on the IBM-built Summit supercomputer at Oak Ridge National Laboratory to crunch its complex calculations.
We ran 30 very extensive simulations in parallel, one on each of 30 GPUs, and we ran them continuously for at least four days, explained Emiliano Brini, a junior fellow at the Laufer Center. Summit is a great machine because it has so many GPUs, so we can run many simulations in parallel, he said.
Our physics-based modeling eats a lot of compute cycles. We use GPUs almost exclusively for their speed, said Dill.
Sharing Results to Help Accelerate Research Thanks to the acceleration, the predictions are already in. The Laufer team quickly shared them with about a hundred researchers working on a dozen separate projects that conduct painstakingly slow experiments to determine the actual structure of the proteins.
They indicated some experiments could be done faster if they had hunches from our work of what those 3D structures might be, said Dill.
Now it's a waiting game. If one of the predictions gives researchers a leg up in finding a weakness that drug makers can exploit, it would be a huge win. It could take science one step closer to putting a general antiviral drug on the shelf of your local pharmacy.
Melding Machine Learning and Physics Dill's team uses a molecular dynamics program called MELD. It blends physical simulations with insights from machine learning based on statistical models.
AI provides MELD key information to predict a protein's 3D structure from its sequence of amino acids. It quickly finds patterns across a database of atomic-level information on 200,000 proteins gathered over the last 50 years.
MELD uses this information in compute-intensive physics simulations to determine the protein's detailed structure. Further simulations then can predict, for example, what drug molecules will bind tightly to a specific viral protein.
So, both these worlds - AI inference and physics simulations - are playing big roles in helping drug discovery, said Dill. We get the benefits of both methods, and that combination is where I think the future is.
MELD runs on CUDA, NVIDIA's accelerated computing platform for GPUs. It would take prohibitively long to run its simulations on CPUs, so the majority of biological simulations are done on GPUs, said Brini.
Playing a Waiting Game The COVID-19 challenge gave Laufer researchers with a passion for chemistry a driving focus. Now they await feedback on their work on Summit.
Once we get the results, we'll publish what we learn from the mistakes. Many times, researchers have to go back to the drawing board, he said.
And every once in a while, they celebrate, too.
Dill hosted a small, socially distanced gathering for a half-dozen colleagues in his backyard after the Summit work was complete. If those results turn up a win, there will be a much bigger celebration extending far beyond the Stony Brook campus.
LINK: | https://blogs.nvidia.com/blog/2020/10/15/ai-hpc-covid-stonybrook/... |
See more stories from nvidia |
Most recent headlines
04/08/2024
Dalet Appoints Santiago Solanas as CEO to Lead Next Era of Growth and Innovation
Dalet, a leading technology and service provider for media-rich organizations, is excited to announce Santiago Solanas as its new Chief Executive Officer (CEO)....
03/06/2024
Dalet and Veritone Reach Agreement to Distribute, Transact and Monetize Media Archives
Dalet, a leading technology and service provider for media-rich organizations, a...
28/04/2024
Mediahaus delivers the first SRT live-streaming sports production over 5G with URSA Broadcast G2
Mediahaus delivers the first SRT live-streaming sports production over 5G with U...
24/04/2024
UKTV's pay TV channel Alibi joins forces with S4C and All3Media International for new legal crime drama series Mudtown
Cast set to star include Erin Richards and Tom Cullen Wednesday 24 April 2024 ...
24/04/2024
K-Hip-Hop's Biggest Names Take Center Stage on KrOWN X HAN 2024'
This month marked the return of Spotify's HAN, our collaborative program that brings the unique sounds and culture of Korean hip-hop to the world through ex...
24/04/2024
RADAR Italy Returns With 6 Artists Transforming the Country's Music Landscape
As Spotify's program to spotlight rising talent from around the world, RADAR...
24/04/2024
Spotify Partners With Les Flammes Music Awards To Celebrate French Rap
Spotify is once again teaming up with Les Flammes, the only music awards dedicated to rap, R&B, Afrobeats, and popular culture in France. Spotify helped create...
24/04/2024
Taylor Swift's THE TORTURED POETS DEPARTMENT' Becomes Spotify's Most-Streamed Album in One Week
Records smashed. History made. It's been just five days since Taylor Swift u...
24/04/2024
SBS marks Earth Day as The Cook Up with Adam Liaw becomes first Australian show to have its carbon footprint validated through SSA
SBS marks Earth Day as The Cook Up with Adam Liaw becomes first Australian show ...
24/04/2024
Save money every day with SBS's Ricardo Gonalves and Peggy Giakoumelos on new Cost of Living Secrets podcast
Save money every day with SBS's Ricardo Gon alves and Peggy Giakoumelos on n...
24/04/2024
Authentic Perspectives
The first feature film from writer-director Shaun Seneviratne, Ben and Suzanne: A Reunion in 4 Parts depicts the struggle between love and duty as Ben (Sathya S...
24/04/2024
Melanie Georgieva Joins Panalux as Long Form Sales Director
LONDON, England (24 April 2024) Panalux, a leading rental provider of lighting and power solutions for the motion-picture industry and part of Panavision'...
24/04/2024
Deutsche Telekom Powers New MagentaTV Service With Broadpeak's Cloud DVR Solution
April 24, 2024 -- Deutsche Telekom Powers New MagentaTV Service With Broadpea...
24/04/2024
Mundo Hispano Digital Launches MundoNow Connect
ATLANTA Mundo Hispano Digital has launched a new advertising product, MundoNow Connect, that is designed to help advertisers reach Hispanic audiences on connect...
24/04/2024
Epic Games Releases Unreal Engine 5.4
Epic Games has released a major new version of Unreal Engine, which has become a mainstay in virtual production, that includes new features and improvements to ...
24/04/2024
NAB Show Welcomes Creators to Las Vegas
The National Association of Broadcasters welcomed the industry to its annual extravaganza last month in Las Vegas. The sights and sounds were similar to previou...
24/04/2024
Chptr, Gray Television Launch on Video Obituary Platform
NEW YORK Chptr and Gray Television have announced that they are introducing a new video solution for funeral homes and communities that will allow funeral direc...
24/04/2024
Adobe Charts the Future of Creativity and AI at MAX London
Adobe Charts the Future of Creativity and AI at MAX London Brie Clayton April 24, 2024 0 Comments Adobe is taking MAX, the world's largest creativ...
24/04/2024
Curtis LeGeyt, NAB President and CEO, Extends Contract
National Association of Broadcasters president and CEO Curtis LeGeyt has agreed to a contract extension that keeps him at the trade association's helm throu...
24/04/2024
Jo Ann Ross Steps Down as Ad Sales Chairman at Paramount
Jo Ann Ross, the long-running queen of television advertising sales, is stepping down from her role as chairman of Paramount Advertising at the end of the month...
24/04/2024
Scripps Names James Galindo as Station Manager in Bakersfield
E.W. Scripps said it named James Galindo as station manager for KERO, the ABC affiliate in Bakersfield, California....
24/04/2024
Amazon Prime Video's Fallout' Tops TVision Power Score Rankings
Amazon Prime Video's Fallout topped TVision's Power Score rankings of shows on connected TV for the week of April 15....
24/04/2024
DoubleVerify Gets MRC Stamp for CTV Viewability Metrics
DoubleVerify said that it received accreditation from the Media Rating Council for its measurement of video viewable impressions and related metrics for connect...
24/04/2024
PlayBox Neo Highlights Latest Advances in Smart Media Pla...
PlayBox Neo reports a successful and well attended 2024 NAB Show, held in mid April at the Las Vegas Convention Center. Now in its 101st year, the event attract...
24/04/2024
MPEG-5 LCEVC Showcase at NAB 2024 demonstrates ecosystem...
MPEG-5 LCEVC ecosystem support continues to grow and includes TVs and set-top boxes, gearing up for the deployment of TV3.0 in Brazil New, never-before-seen ...
24/04/2024
Black Box and NOVO at Integrate Middle East 2024 Featurin...
At Integrate Middle East 2024 in Booth AR-F45, where the company is exhibiting along with its partner NOVO, Black Box will feature IP-based KVM and AV solution...
24/04/2024
NEP Belgium Taps manifold CLOUD in Virtual OB Setup for Live Sports
FRANKFURT, Germany Software solutions provider manifold technologies has announced that its manifold CLOUD was selected by NEP Belgium to provide a signal proce...
24/04/2024
Integral Ad Science Achieves MRC Accreditation
NEW YORK Integral Ad Science has announced that it has earned Media Rating Council (MRC) accreditation for its sophisticated invalid traffic (SIVT) filtration f...
24/04/2024
Plex Launches NFL Channel
LOS GATOS, Calif. Streaming media company Plex has announced a partnership with the National Football League that will add the NFL Channel, the NFLs 24/7 free l...
24/04/2024
NAB Extends Contract for President & CEO Curtis LeGeyt
WASHINGTON, D.C. NAB President and CEO Curtis LeGeyt has agreed to a contract extension that will keep him at the helm of NAB through 2029, according to NAB Joi...
24/04/2024
GlobalM, scoopa Form Strategic Partnership To Enable Speedy Content Distribution
GENEVA, Switzerland Software-defined video network (SDVN) platform specialist GlobalM and broadcast-quality content distribution expert scoopa have formed a str...
24/04/2024
Screen Australia celebrates Australian projects bound for Cannes Film Festival 2024
24 04 2024 - Media release Screen Australia celebrates Australian projects bound...
24/04/2024
Berklee Online to Hold 2024 Berklee Onsite Music Conference May 31-June 1
Berklee Online to Hold 2024 Berklee Onsite Music Conference May 31-June 1 The in-person conference is open to Berklee Online students and the music community ...
24/04/2024
Kargo Gives Buyers More Detail on CTV Campaigns
Kargo said it has launched a new product that gives advertisers more details about the connected TV campaigns they are buying....
24/04/2024
MundoNow Connect Launches To Help Brands Target Hispanics on CTV
Mundo Hispano Digital said it has launched MundoNow Connect, which is designed to use first-party audience data to help advertisers reach Latino connected-TV vi...
24/04/2024
Brittney Griner Sits With Robin Roberts for 20/20' Special
Brittney Griner, the WNBA star who spent 10 months in a Russian prison, sits with Robin Roberts for a primetime special on ABC Wednesday, May 1. The 20/20 speci...
24/04/2024
DirecTV Adds Content From Cineverse, Scripps
To give its subscribers more content to pick from, DirecTV Stream is making deals to carry streaming channels from Cineverse and additional digital multicast ch...
24/04/2024
Jenny Padura Named Anchor at Univision's WLTV Miami
Jenny Padura has been promoted to co-anchor on the 6 and 11 p.m. newscasts at WLTV Miami, known as Univision 23. She starts April 25 and will anchor with Ambros...
24/04/2024
Paris Schutz Joins WFLD Chicago as Political Reporter
Paris Schutz has joined WFLD Chicago, known as Fox 32, as a political reporter. He starts April 29 and will handle all political coverage for the station, repor...
24/04/2024
Plex Adds NFL Channel Ahead of Draft Coverage
Plex has made a deal with the National Football League that will let users watch the NFL Channel, the league's free ad-supported streaming television (FAST)...
24/04/2024
Schwarzenegger, Stallone Discuss Rivalry on TMZ Presents'
Arnold Schwarzenegger and Sylvester Stallone sit for a chat when TMZ Presents: Arnold & Sly: Rivals, Friends, Icons debuts on Fox Tuesday, April 23. The pair di...
24/04/2024
Lionsgate Signs Long-Term Deal With TV Production Head Gary Goodman
Lionsgate Television said it signed a new multiyear employment agreement with executive VP, worldwide production, Gary Goodman....
24/04/2024
Miguelangel Lopez Upped to Regional VP of News at Telemundo Florida Trio
Miguelangel Lopez, WTMO Orlando (Florida) VP of news, has been named regional VP of news and content for WTMO, WRMD Tampa and WWDT Fort Myers, effective immedia...
24/04/2024
VEON Announces 2024 AGM and Board Nominees
24 Apr 2024 VEON Announces 2024 AGM and Board Nominees Amsterdam, 24 April 2024 - VEON Ltd. (NASDAQ: VEON, Euronext Amsterdam: VEON), a global digital operator...
24/04/2024
Howie Schwab - Beloved ESPN Researcher, Producer, and Trivia Star - Dies at 63
Howie Schwab - Beloved ESPN Researcher, Producer, and Trivia Star - Dies at 63 By SVG Staff Wednesday, April 24, 2024 - 6:46 am Print This Story | Subscri...
24/04/2024
Miss the SVG Venue Summit at Allegiant Stadium? All Panel Recordings Now Available on SVG PLAY
Miss the SVG Venue Summit at Allegiant Stadium? All Panel Recordings Now Availab...
24/04/2024
Rohde & Schwarz and IPG Automotive unveil a complete Hardware-in-the-Loop automotive radar test solution
Rohde & Schwarz and IPG Automotive unveil a complete Hardware-in-the-Loop automo...
24/04/2024
My Oni Girl' Trailer Unveils a World Where Suppressed Emotions Can Transform You
Back to All News My Oni Girl' Trailer Unveils a World Where Suppressed Emo...
24/04/2024
Nurturing a new look for Huntapac
Posted on 24 Apr 2024 Creating a contemporary brand update that reflects a company's strong heritage can often pose a challenge, yet its a task ICG embrace...
24/04/2024
2024-04-24
Beginning in May, a special Today at Apple series titled Made for Business will offer small business owners and entrepreneurs free opportunities to learn how ...