Literature DB >> 24556244

The future of whole-cell modeling.

Derek N Macklin1, Nicholas A Ruggero2, Markus W Covert3.   

Abstract

Integrated whole-cell modeling is poised to make a dramatic impact on molecular and systems biology, bioengineering, and medicine--once certain obstacles are overcome. From our group's experience building a whole-cell model of Mycoplasma genitalium, we identified several significant challenges to building models of more complex cells. Here we review and discuss these challenges in seven areas: first, experimental interrogation; second, data curation; third, model building and integration; fourth, accelerated computation; fifth, analysis and visualization; sixth, model validation; and seventh, collaboration and community development. Surmounting these challenges will require the cooperation of an interdisciplinary group of researchers to create increasingly sophisticated whole-cell models and make data, models, and simulations more accessible to the wider community.
Copyright © 2014 Elsevier Ltd. All rights reserved.

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Year:  2014        PMID: 24556244      PMCID: PMC4111988          DOI: 10.1016/j.copbio.2014.01.012

Source DB:  PubMed          Journal:  Curr Opin Biotechnol        ISSN: 0958-1669            Impact factor:   9.740


  45 in total

1.  MulteeSum: a tool for comparative spatial and temporal gene expression data.

Authors:  Miriah Meyer; Tamara Munzner; Angela DePace; Hanspeter Pfister
Journal:  IEEE Trans Vis Comput Graph       Date:  2010 Nov-Dec       Impact factor: 4.579

2.  Network analysis of intermediary metabolism using linear optimization. I. Development of mathematical formalism.

Authors:  J M Savinell; B O Palsson
Journal:  J Theor Biol       Date:  1992-02-21       Impact factor: 2.691

Review 3.  Biomolecular simulation: a computational microscope for molecular biology.

Authors:  Ron O Dror; Robert M Dirks; J P Grossman; Huafeng Xu; David E Shaw
Journal:  Annu Rev Biophys       Date:  2012       Impact factor: 12.981

4.  Transcriptome complexity in a genome-reduced bacterium.

Authors:  Marc Güell; Vera van Noort; Eva Yus; Wei-Hua Chen; Justine Leigh-Bell; Konstantinos Michalodimitrakis; Takuji Yamada; Manimozhiyan Arumugam; Tobias Doerks; Sebastian Kühner; Michaela Rode; Mikita Suyama; Sabine Schmidt; Anne-Claude Gavin; Peer Bork; Luis Serrano
Journal:  Science       Date:  2009-11-27       Impact factor: 47.728

5.  A whole-cell computational model predicts phenotype from genotype.

Authors:  Jonathan R Karr; Jayodita C Sanghvi; Derek N Macklin; Miriam V Gutschow; Jared M Jacobs; Benjamin Bolival; Nacyra Assad-Garcia; John I Glass; Markus W Covert
Journal:  Cell       Date:  2012-07-20       Impact factor: 41.582

Review 6.  RNA-Seq: a revolutionary tool for transcriptomics.

Authors:  Zhong Wang; Mark Gerstein; Michael Snyder
Journal:  Nat Rev Genet       Date:  2009-01       Impact factor: 53.242

7.  Stoichiometric flux balance models quantitatively predict growth and metabolic by-product secretion in wild-type Escherichia coli W3110.

Authors:  A Varma; B O Palsson
Journal:  Appl Environ Microbiol       Date:  1994-10       Impact factor: 4.792

8.  Western blot: technique, theory, and trouble shooting.

Authors:  Tahrin Mahmood; Ping-Chang Yang
Journal:  N Am J Med Sci       Date:  2012-09

9.  Quantification of mRNA and protein and integration with protein turnover in a bacterium.

Authors:  Tobias Maier; Alexander Schmidt; Marc Güell; Sebastian Kühner; Anne-Claude Gavin; Ruedi Aebersold; Luis Serrano
Journal:  Mol Syst Biol       Date:  2011-07-19       Impact factor: 11.429

10.  Accelerated discovery via a whole-cell model.

Authors:  Jayodita C Sanghvi; Sergi Regot; Silvia Carrasco; Jonathan R Karr; Miriam V Gutschow; Benjamin Bolival; Markus W Covert
Journal:  Nat Methods       Date:  2013-11-03       Impact factor: 28.547

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  29 in total

1.  Data quality in drug discovery: the role of analytical performance in ligand binding assays.

Authors:  Hermann Wätzig; Imke Oltmann-Norden; Franziska Steinicke; Hassan A Alhazmi; Markus Nachbar; Deia Abd El-Hady; Hassan M Albishri; Knut Baumann; Thomas Exner; Frank M Böckler; Sami El Deeb
Journal:  J Comput Aided Mol Des       Date:  2015-06-13       Impact factor: 3.686

Review 2.  Whole-Cell Models and Simulations in Molecular Detail.

Authors:  Michael Feig; Yuji Sugita
Journal:  Annu Rev Cell Dev Biol       Date:  2019-07-12       Impact factor: 13.827

3.  Formalizing Knowledge in Multi-Scale Agent-Based Simulations.

Authors:  Endre Somogyi; James P Sluka; James A Glazier
Journal:  Model Driven Eng Lang Syst       Date:  2016-10

Review 4.  How to deal with parameters for whole-cell modelling.

Authors:  Ann C Babtie; Michael P H Stumpf
Journal:  J R Soc Interface       Date:  2017-08-02       Impact factor: 4.118

Review 5.  Opportunities and Challenges in Building a Spatiotemporal Multi-scale Model of the Human Pancreatic β Cell.

Authors:  Jitin Singla; Kyle M McClary; Kate L White; Frank Alber; Andrej Sali; Raymond C Stevens
Journal:  Cell       Date:  2018-03-22       Impact factor: 41.582

6.  A blueprint for human whole-cell modeling.

Authors:  Balázs Szigeti; Yosef D Roth; John A P Sekar; Arthur P Goldberg; Saahith C Pochiraju; Jonathan R Karr
Journal:  Curr Opin Syst Biol       Date:  2017-11-09

Review 7.  Integrating single-molecule experiments and discrete stochastic models to understand heterogeneous gene transcription dynamics.

Authors:  Brian Munsky; Zachary Fox; Gregor Neuert
Journal:  Methods       Date:  2015-06-12       Impact factor: 3.608

8.  Complete atomistic model of a bacterial cytoplasm for integrating physics, biochemistry, and systems biology.

Authors:  Michael Feig; Ryuhei Harada; Takaharu Mori; Isseki Yu; Koichi Takahashi; Yuji Sugita
Journal:  J Mol Graph Model       Date:  2015-02-28       Impact factor: 2.518

Review 9.  Genome-scale modelling of microbial metabolism with temporal and spatial resolution.

Authors:  Michael A Henson
Journal:  Biochem Soc Trans       Date:  2015-12       Impact factor: 5.407

10.  Guidelines for Reproducibly Building and Simulating Systems Biology Models.

Authors:  J Kyle Medley; Arthur P Goldberg; Jonathan R Karr
Journal:  IEEE Trans Biomed Eng       Date:  2016-07-18       Impact factor: 4.538

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