Molecular thermodynamics of metabolism: hydration quantities and the equation-of-state approach

Publications associées (29)

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Spectral Coarse Spaces for the Substructured Parallel Schwarz Method

Tommaso Vanzan

The parallel Schwarz method (PSM) is an overlapping domain decomposition (DD) method to solve partial differential equations (PDEs). Similarly to classical nonoverlapping DD methods, the PSM admits a substructured formulation, that is, it can be formulated ...

2022

Conservation of Forces and Total Work at the Interface Using the Internodes Method

Simone Deparis

The Internodes method is a general purpose method to deal with non-conforming discretizations of partial differential equations on 2D and 3D regions partitioned into disjoint subdomains. In this paper we are interested in measuring how much the Internodes ...

2022

Stabilized isogeometric discretizations on trimmed and union geometries, and weak imposition of the boundary conditions for the Darcy flow

Riccardo Puppi

Modern manufacturing engineering is based on a ``design-through-analysis'' workflow. According to this paradigm, a prototype is first designed with Computer-aided-design (CAD) software and then finalized by simulating its physical behavior, which usually i ...

EPFL2022

Quadrature-free immersed isogeometric analysis

Pablo Antolin Sanchez, Thibaut Hirschler

This paper presents a novel method for solving partial differential equations on three-dimensional CAD geometries by means of immersed isogeometric discretizations that do not require quadrature schemes. It relies on a newly developed technique for the eva ...

SPRINGER2022

Acceleration of gossip algorithms through the Euler-Poisson-Darboux Equation

Raphaël Jean Berthier

Gossip algorithms and their accelerated versions have been studied exclusively in discrete time on graphs. In this work, we take a different approach and consider the scaling limit of gossip algorithms in both large graphs and large number of iterations. T ...

OXFORD UNIV PRESS2022

Analytic modelling of passive microfluidic mixers

Jean-Michel Sallese, Christophe Lallement

This paper deals with a new analytical model for microfluidic passive mixers. Two common approaches already exist for such a purpose. On the one hand, the resolution of the advection-diffusion-reaction equation (ADRE) is the first one and the closest to ph ...

AMER INST MATHEMATICAL SCIENCES-AIMS2022

Repair or Degrade: the Thermodynamic Dilemma of Cellular Protein Quality-Control

Paolo De Los Rios, Bruno Claude Daniel Fauvet, Pierre Goloubinoff, Satyam Tiwari, Mathieu Rebeaud

Life is a non-equilibrium phenomenon. Owing to their high free energy content, the macromolecules of life tend to spontaneously react with ambient oxygen and water and turn into more stable inorganic molecules. A similar thermodynamic picture applies to th ...

FRONTIERS MEDIA SA2021

A genome-scale metabolic model of Saccharomyces cerevisiae that integrates expression constraints and reaction thermodynamics

Vassily Hatzimanikatis, Ljubisa Miskovic, Maria Masid Barcon, Mohammadomid Oftadeh, Pierre Guy Rémy Salvy

Eukaryotic organisms play an important role in industrial biotechnology, from the production of fuels and commodity chemicals to therapeutic proteins. To optimize these industrial systems, a mathematical approach can be used to integrate the description of ...

Nature Portfolio2021

Equilibrium and non-equilibrium furanose selection in the ribose isomerisation network

Paolo De Los Rios, Shiling Liang, Francesco Piazza, Daniel Maria Busiello

The exclusive presence of beta -D-ribofuranose in nucleic acids is still a conundrum in prebiotic chemistry, given that pyranose species are substantially more stable at equilibrium. However, a precise characterisation of the relative furanose/pyranose fra ...

Nature Research2021

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Spectral Coarse Spaces for the Substructured Parallel Schwarz Method

Tommaso Vanzan

2022

Stabilized isogeometric discretizations on trimmed and union geometries, and weak imposition of the boundary conditions for the Darcy flow

Riccardo Puppi

EPFL2022

A genome-scale metabolic model of Saccharomyces cerevisiae that integrates expression constraints and reaction thermodynamics

Vassily Hatzimanikatis, Ljubisa Miskovic, Maria Masid Barcon, Mohammadomid Oftadeh, Pierre Guy Rémy Salvy

Nature Portfolio2021