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  1. 9021
  2. 9022

    Accelerating phase field simulations through a hybrid adaptive Fourier neural operator with U-net backbone by Christophe Bonneville, Nathan Bieberdorf, Arun Hegde, Mark Asta, Habib N. Najm, Laurent Capolungo, Cosmin Safta

    Published 2025-01-01
    “…Abstract Prolonged contact between a corrosive liquid and metal alloys can cause progressive dealloying. For one such process as liquid-metal dealloying (LMD), phase field models have been developed to understand the mechanisms leading to complex morphologies. …”
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  3. 9023
  4. 9024

    A versatile workflow to integrate RNA-seq genomic and transcriptomic data into mechanistic models of signaling pathways. by Martín Garrido-Rodriguez, Daniel Lopez-Lopez, Francisco M Ortuno, María Peña-Chilet, Eduardo Muñoz, Marco A Calzado, Joaquin Dopazo

    Published 2021-02-01
    “…MIGNON covers the whole process, from reads to signaling circuit activity estimations, using state-of-the-art tools, it is easy to use and it is deployable in different computational environments, allowing an optimized use of the resources available.…”
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  5. 9025

    A machine-learning framework for accelerating spin-lattice relaxation simulations by Valerio Briganti, Alessandro Lunghi

    Published 2025-03-01
    “…Ab initio simulations have played a fundamental role in shaping our understanding of this process but further progress is hindered by their high computational cost. …”
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  6. 9026
  7. 9027
  8. 9028
  9. 9029
  10. 9030
  11. 9031
  12. 9032

    Molecular evolution of peptide ligands with custom-tailored characteristics for targeting of glycostructures. by Niels Röckendorf, Markus Borschbach, Andreas Frey

    Published 2012-01-01
    “…The influence of different evolutional parameters and mechanisms such as mutation rate, crossover probability, gaussian variation and fitness value scaling on the course of this artificial evolutional process was investigated. As a proof of concept peptidic ligands for a model target molecule, the cell surface glycolipid ganglioside G(M1), were identified. …”
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  13. 9033

    Learning as filtering: Implications for spike-based plasticity. by Jannes Jegminat, Simone Carlo Surace, Jean-Pascal Pfister

    Published 2022-02-01
    “…Most normative models in computational neuroscience describe the task of learning as the optimisation of a cost function with respect to a set of parameters. …”
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  14. 9034
  15. 9035

    A neurocomputational model of the mismatch negativity. by Falk Lieder, Klaas E Stephan, Jean Daunizeau, Marta I Garrido, Karl J Friston

    Published 2013-01-01
    “…This work advances a formal understanding of the MMN and--more generally--illustrates the potential for developing computationally informed dynamic causal models of empirical electromagnetic responses.…”
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  16. 9036

    novoStoic2.0: An integrated framework for pathway synthesis, thermodynamic evaluation, and enzyme selection. by Vikas Upadhyay, Mohit Anand, Costas D Maranas

    Published 2025-08-01
    “…In summary, novoStoic2.0 aims to streamline the process of pathway design contributing to the development of sustainable biotechnological solutions.…”
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  17. 9037

    Optimization hardness constrains ecological transients. by William Gilpin

    Published 2025-05-01
    “…Here, we use tools from computational complexity theory to frame equilibration in complex ecosystems as the process of solving an analogue optimization problem. …”
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