The Advanced Computing for Health Sciences Section (ACH) @ORNL is committed to nation’s leading biomedical, clinical & public health initiatives with @ENERGY
IDPs are special classes of proteins that lack fixed 3D structure but responsible for important biological functions (like DNA regulation or cell signaling). check out the new methodology that @ORNL scientists devised to study their structure-function https://t.co/6SyNGPQK4k
Frontier enables the development of new algorithms that can uncover valuable information to help prevent and treat serious medical conditions. #ExascaleDay#DiscoverFrontier@ORNL@OLCFGOV
STUDENTS: Come for world-leading #polymer science! Stay for the university and national laboratory experience! Learn with experts from @ArtsSciencesUT@ORNL@UTKnoxville https://t.co/yv1J3qq6Rr
check out our new work on #drugdiscovery by #Artificial_Intelligence for 'Automating Genetic Mutations to create novel molecules with desired properties while going beyond point mutations & ensuring genetic optimization' at
@ORNLComputing
(link: https://t.co/AhERg3YyPY)
An ORNL research team used @OLCFGOV’s Summit to model previously unexplored areas of the SARS-CoV-2 ‘spike’ protein and reveal potential pathways for inhibiting COVID-19. https://t.co/6qLjCVl1sX
“Darwin on fast forward:” Read how @ORNL scientists used the #Summit supercomputer to teach an algorithm the language of molecules and search for compounds that might fight the coronavirus. #SC21 https://t.co/Q4lKr4EmIg
interested to know more about 'Machine Learning in Computational Chemistry'? listen to our own @ORNL's
@debsindhu 's talk on 'Deep Predictive Visual Proteomics' at 11.10am CST on Saturday (11/13/2021) at
@sermacs2021
https://t.co/8gjEzWHIY2
check out our @ACHSatORNL's recent work to know more about dynamics of class A β-lactamases in long standing collaboration with @School_Pharmacy at https://t.co/bkq2yPaKRK
check out our new work on detailed dynamic atomistic investigation of the oxygenated and deoxygenated states of hexameric hemocyanin from horseshoe crab using #AI driven explicit solvent MD simulations with @ACHSatORNL at @ORNL and @School_Pharmacy https://t.co/zOyDHuiiZy
Invited Talk by Dr. Debsindhu Bhowmik, Computational Scientist, Computational Science and Engineering Division (CSED), Oak Ridge National Laboratory, USA
Title: “Deep Predictive Visual Proteomics”
Date & Time: July 28, 2021 at 4:00 PM
@ACHSatORNL researchers of @ORNLComputing at @ORNL opens new frontier to search and generate new (drug) molecules by employing #AI on #HPC platform - valuable tool towards exploring (bio-)chemical space and optimizing compounds for a desired functionality. https://t.co/xoG3PF6aod
ORNL has modeled the spike protein that binds the novel #coronavirus to a human cell for better understanding of the dynamics of #COVID19. #NatLabsInTheFight https://t.co/UfxCyAl9LS
The COVID-19 pandemic presented a staggering challenge to the scientific community. @ENERGY created the National Virtual Biotechnology Laboratory to draw on the expertise of our national labs. Learn more about the NVBL's accomplishments: https://t.co/711DJLFl5Y