no code implementations • 17 Oct 2023 • Luis A. Álvarez-García, Wolfram Liebermeister, Ian Leifer, Hernán A. Makse
Symmetry principles have proven important in physics, deep learning and geometry, allowing for the reduction of complicated systems to simpler, more comprehensible models that preserve the system's features of interest.
no code implementations • 13 Mar 2022 • Bilal Shaikh, Lucian P. Smith, Dan Vasilescu, Gnaneswara Marupilla, Michael Wilson, Eran Agmon, Henry Agnew, Steven S. Andrews, Azraf Anwar, Moritz E. Beber, Frank T. Bergmann, David Brooks, Lutz Brusch, Laurence Calzone, Kiri Choi, Joshua Cooper, John Detloff, Brian Drawert, Michel Dumontier, G. Bard Ermentrout, James R. Faeder, Andrew P. Freiburger, Fabian Fröhlich, Akira Funahashi, Alan Garny, John H. Gennari, Padraig Gleeson, Anne Goelzer, Zachary Haiman, Joseph L. Hellerstein, Stefan Hoops, Jon C. Ison, Diego Jahn, Henry V. Jakubowski, Ryann Jordan, Matúš Kalaš, Matthias König, Wolfram Liebermeister, Synchon Mandal, Robert McDougal, J. Kyle Medley, Pedro Mendes, Robert Müller, Chris J. Myers, Aurelien Naldi, Tung V. N. Nguyen, David P. Nickerson, Brett G. Olivier, Drashti Patoliya, Loïc Paulevé, Linda R. Petzold, Ankita Priya, Anand K. Rampadarath, Johann M. Rohwer, Ali S. Saglam, Dilawar Singh, Ankur Sinha, Jacky Snoep, Hugh Sorby, Ryan Spangler, Jörn Starruß, Payton J. Thomas, David van Niekerk, Daniel Weindl, Fengkai Zhang, Anna Zhukova, Arthur P. Goldberg, Michael L. Blinov, Herbert M. Sauro, Ion I. Moraru, Jonathan R. Karr
To help investigators find and use simulation tools, we developed BioSimulators (https://biosimulators. org), a central registry of the capabilities of simulation tools and consistent Python, command-line, and containerized interfaces to each version of each tool.
no code implementations • 17 Jan 2018 • Wolfram Liebermeister
Here I propose two methods for flux modelling: Flux Cost Minimisation, a nonlinear variant of FBA with flux minimisation, and Flux Benefit Optimisation, a nonlinear variant of FBA with molecular crowding.
no code implementations • 16 Feb 2016 • Wolfram Liebermeister
Starting from an enzyme-optimised steady state, I score the effects of possible enzyme rhythms on a metabolic objective and optimise their amplitudes and phase shifts.
1 code implementation • 21 Apr 2014 • Wolfram Liebermeister
The metabolic state of a cell, comprising fluxes, metabolite concentrations and enzyme levels, is shaped by a compromise between metabolic benefit and enzyme cost.
1 code implementation • 20 Apr 2014 • Wolfram Liebermeister
Local value production implies that the cost of an enzyme must be balanced by a benefit, given by the economic potential difference the catalysed reaction multiplied by the flux.
2 code implementations • 1 Sep 2013 • Wolfram Liebermeister
Thermodynamics can be used to obtain more precise predictions of flux control, enzyme synergies, correlated flux and metabolite variations, and of the emergence and propagation of metabolic noise.