Integrating computational methods to retrofit enzymes to synthetic pathways

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Publications associées (31)

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Drones hold promise to assist in civilian tasks. To realize this application, future drones must operate within large cities, covering large distances while navigating within cluttered urban landscapes. The increased efficiency of winged drones over rotary ...

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ML-based edge devices may face memory and computational errors that affect applications' reliability and performance. These errors can be the result of particular working conditions (e.g., radiation areas in physical experiments or avionics) or could be th ...

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From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

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We propose a framework for the construction of 4D scientific models for cities of the past. It leverages both the use of computational methods for bootstrapping, and a collaborative interface for visualisation and edition. This permits to continuously enri ...

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The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments sp ...

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Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

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A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

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Separable Brønsted acidic imidazolium salts for polysaccharide hydrolysis in water

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The current reliance on limited petrochemical resources and the resulting ecological outcomes have made the exploration of alternative chemical and energy feedstocks invaluable. As such, the development of sustainable processes with a less harmful total en ...

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We present 3DHumanGAN, a 3D-aware generative adversarial network that synthesizes photo-like images of fullbody humans with consistent appearances under different view-angles and body-poses. To tackle the representational and computational challenges in sy ...

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Situated in the intersection of audiovisual archives, computational methods, and immersive interactions, this work probes the increasingly important accessibility issues from a two-fold approach. Firstly, the work proposes an ontological data model to hand ...

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Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

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Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

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Multi-time integration approach for combined pulp and ammonia production and seasonal CO2 management

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In this work, the gasification of the black liquor is proposed as an alternative ammonia production route. Due to the seasonal variation of the energy prices, a multi-time integration approach that combines different technologies and energy inputs is used ...

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Integrated production of urea and nitric acid in the pulp industry: techno-economic and environmental analysis of black liquor gasification-based processes

François Maréchal, Shivom Sharma, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos

The pursuit of alternative energy sources for the nitrogen fertilizers sector has recently earned renewed interest due to increasing concerns regarding the world dependence on non-renewable energy resources and also motivated by the more stringent environm ...

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