Coarse-grained molecular models of proteins permit access to length and time scales unattainable by all-atom models and the simulation of processes that occur on long-time scales such as aggregation and folding. The reduced resolution realizes computational accelerations but an atomistic representation can be vital for a complete understanding of mechanistic details. Backmapping is the process of restoring all-atom resolution to coarse-grained molecular models. In this work, we report DiAMoNDBack (Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping) as an autoregressive denoising diffusion probability model to restore all-atom details to coarse-grained protein representations retaining only C{\alpha} coordinates. The autoregressive generation process proceeds from the protein N-terminus to C-terminus in a residue-by-residue fashion conditioned on the C{\alpha} trace and previously backmapped backbone and side chain atoms within the local neighborhood. The local and autoregressive nature of our model makes it transferable between proteins. The stochastic nature of the denoising diffusion process means that the model generates a realistic ensemble of backbone and side chain all-atom configurations consistent with the coarse-grained C{\alpha} trace. We train DiAMoNDBack over 65k+ structures from Protein Data Bank (PDB) and validate it in applications to a hold-out PDB test set, intrinsically-disordered protein structures from the Protein Ensemble Database (PED), molecular dynamics simulations of fast-folding mini-proteins from DE Shaw Research, and coarse-grained simulation data. We achieve state-of-the-art reconstruction performance in terms of correct bond formation, avoidance of side chain clashes, and diversity of the generated side chain configurational states. We make DiAMoNDBack model publicly available as a free and open source Python package.

Fox News Flash top headlines are here. Check out what's clicking on Foxnews.com. Jose Siri and Chas McCormick hit back-to-back home runs in the eighth inning, rallying the AL West-leading Houston Astros over the Arizona Diamondbacks 7-6 on Sunday. Carlos Correa also homered as the Astros held their comfortable division lead over Oakland. Houston won for the fourth time in five games and cut Tampa Bay's lead for the best record in the AL to 3 ½ games.

The 89 people who work at Buffer, a company that makes social-media management tools, are used to having an unconventional employer. Everyone's salary, including the CEO's, is public. All employees work remotely; their only office closed down six years ago. And as a perk, Buffer pays for any books employees want to buy for themselves. So perhaps it is unsurprising that last year, when the pandemic obliterated countless workers' work-life balance and mental health, Buffer responded in a way that few other companies did: It gave employees an extra day off each week, without reducing pay--an experiment that's still running a year later. "It has been such a godsend," Essence Muhammad, a customer-support agent at Buffer, told me. Miraculously--or predictably, if you ask proponents of the four-day workweek--the company seemed to be getting the same amount of work done in less time. It had scaled back on meetings and social events, and employees increased the pace of their day. Nicole Miller, who works in human resources at Buffer, also cited "the principle of work expanding to the time you give it": When we have 40 hours of work a week, we find ways to work for 40 hours.

Digital assistants like Amazon's Echo can listen to you. And they can talk back. But that doesn't mean they can carry on a good conversation. As the devices that run these assistants become more commonplace -- 39 million Americans now own one, according to a recent study -- Amazon and competitors like Apple and Google foresee a day when you can chat with their assistants as you would with a friend. After consulting with the companies involved and a few artificial intelligence experts we created tests that show what they can and can't handle.