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AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics

Mirarchi, Antonio, Pelaez, Raul P., Simeon, Guillem, De Fabritiis, Gianni

arXiv.org Artificial Intelligence

All-atom molecular simulations offer detailed insights into macromolecular phenomena, but their substantial computational cost hinders the exploration of complex biological processes. We introduce Advanced Machine-learning Atomic Representation Omni-force-field (AMARO), a new neural network potential (NNP) that combines an O(3)-equivariant message-passing neural network architecture, TensorNet, with a coarse-graining map that excludes hydrogen atoms. AMARO demonstrates the feasibility of training coarser NNP, without prior energy terms, to run stable protein dynamics with scalability and generalization capabilities.


Disney Connects with Adorable Robots at SXSW

#artificialintelligence

In recent years we've seen a ton of robots designed to fill a wide range of human needs, from factory-line production to service needs at hospitals. Disney has delved into robot technology to enhance the visitor experience at its theme parks. Josh D'Amaro, Disney Parks chairman of experiences and products, attended South by Southwest in Austin to showcase several robots that roam the parks for the delight of visitors. D'Amaro pulled back the curtain on ways Disney uses robots to enhance environments designed and built for "happiness." In his presentation, Creating Happiness: The Art & Science of Disney Parks Storytelling, D'Amaro showed off robots from the tiny to the huge, going from Tinkerbell to a roller-skating kid robot.


COVID-19 Spurs Scientific Revolution in Drug Discovery with AI

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Research across global academic and commercial labs to create a more efficient drug discovery process won recognition today with a special Gordon Bell Prize for work fighting COVID-19. A team of 27 researchers led by Rommie Amaro at the University of California at San Diego (UCSD) combined high performance computing (HPC) and AI to provide the clearest view to date of the coronavirus, winning the award. Their work began in late March when Amaro lit up Twitter with a picture of part of a simulated SARS-CoV-2 virus that looked like an upside-down Christmas tree. Seeing it, one remote researcher noticed how a protein seemed to reach like a crooked finger from behind a protective shield to touch a healthy human cell. "I said, 'holy crap, that's crazy'… only through sharing a simulation like this with the community could you see for the first time how the virus can only strike when it's in an open position," said Amaro, who leads a team of biochemists and computer experts at UCSD.


Coronavirus Could be Fought with Artificial Intelligence - BioTechniques

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How long can coronavirus remain infectious in the air and on contaminated surfaces? New study finds that the novel coronavirus, SARS-CoV-2, can remain viable on plastic and steel for several days, highlighting the importance of hand washing and surface cleaning amidst the current outbreak. However, the consortium is not the only group harnessing the power of artificial intelligence in the fight against the coronavirus pandemic. Other scientists are attempting to develop a computer model of the coronavirus, which they hope will aid in the development of new drugs and vaccines. Continuing on from the initial work conducted by the University of Texas at Austin (TX, USA), biochemists from the University of California, San Diego are endeavoring to build the first complete all-atom model of the SARS-COV-2 coronavirus envelope.


Is The Legend of Zelda: Breath of the Wild the best-designed game ever?

The Guardian

You wake up, it's dark and you're lying in a pool. You don't remember how you got here. You stand up, stretch your aching limbs, walk towards the exit and out into the brilliant sunshine. As your eyes adjust to the light, the world comes slowly into focus – and it is beautiful. The greens of the open plains contrast with the dark black of Death Mountain, which is streaked with orange lava on the distant horizon.