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Directed evolution of enzymes at the crossroads of tradition and innovation
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova +2 more
wiley +1 more source
Guiding AlphaFold to predict how Munc13‐1 opens Syntaxin‐1
The syntaxin‐1 Habc‐domain (orange), linker (pink) and SNARE motif (yellow) form a closed conformation that binds to Munc18‐1 (violet) and is opened by the Munc13‐1 MUN domain (cyan) to form the SNARE complex that triggers neurotransmitter release.
Madhurima Chattopadhyay +2 more
wiley +1 more source
TisIBP8, a fungal‐derived hyperactive ice‐binding protein, helps Caenorhabditis elegans survive dehydration. It localizes near cell membranes, reduces cell damage, and helps maintain membrane structure during drying. These results suggest that ice‐binding proteins can protect cells from dehydration stress as well as freezing stress.
Daiki Shimose +9 more
wiley +1 more source
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard +12 more
wiley +1 more source
Discovery of novel acetylcholinesterase inhibitors through AI-powered structure prediction and high-performance computing-enhanced virtual screening. [PDF]
Chafer-Dolz B +5 more
europepmc +1 more source
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High-Performance Computing with TeraStat
2020 IEEE Intl Conf on Dependable, Autonomic and Secure Computing, Intl Conf on Pervasive Intelligence and Computing, Intl Conf on Cloud and Big Data Computing, Intl Conf on Cyber Science and Technology Congress (DASC/PiCom/CBDCom/CyberSciTech), 2020In the last years we are witnessing a progressive shift toward the adoption of the cloud-computing model for a large variety of application domains. High-performance computing (HPC) is not an exception to this trend, with a steadily increasing amount of performance-heavy scientific experiments that are conducted on the cloud. However, this approach may
Edoardo, Bompiani +3 more
openaire +3 more sources
Introduction to High-Performance Computing
2023Since the first general-purpose computing machines came up in the middle of the twentieth century, computer science's popularity has been growing steadily until our time. The first computers represented a significant leap forward in automating calculations, so that several theoretical methods could be taken from paper into practice. The continuous need
Marco, Verdicchio +1 more
openaire +2 more sources
High-Performance Computing with Accelerators
Computing in Science & Engineering, 2010This issue of CiSE is based on work presented at the US National Science Foundation workshop, Path to Petascale: Adapting Geo/Chem/Astro Applications for Accelerators and Accelerator Clusters, held at the US National Center for Supercomputing Applications (NCSA) in early 2009.
Volodymyr V. Kindratenko +4 more
openaire +1 more source

