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Updated: Jul 11, 2026
08:52
Characterizing Electron Transport through Living Biofilms
Published on: June 1, 2018
Chemistry across scales: from molecules to cells
Sophia N Yaliraki1, Mauricio Barahona
1Institute for Mathematical Sciences, Imperial College London, London SW7 2PG, UK Department of Chemistry, Imperial College London, London SW7 2AY, UK. s.yaliraki@imperial.ac.uk
Summary
This study presents multiscale models to bridge molecular detail and large-scale biological functions. These computational approaches integrate physics and mathematics for accurate modeling of complex biological systems.
Area of Science:
- Computational Biology
- Biophysics
- Theoretical Chemistry
Background:
- Biological functions rely on specific chemical interactions.
- Modeling molecular details at larger scales is a significant research challenge.
Purpose of the Study:
- To develop theoretical and computational approaches for bottom-up multiscale modeling.
- To capture specificity arising from atomistic detail across different scales.
Main Methods:
- Utilizing multiscale models integrating various length and time scales.
- Exploiting mechanical responses for model integration.
- Applying concepts from algebraic geometry, model reduction, graph theory, and optimization.
Main Results:
- Demonstrated applicability in protein engineering and enzyme catalysis.
- Showcased utility in protein assembly modeling.
- Provided descriptions of lipid bilayers at multiple scales.
Conclusions:
- The developed framework offers a novel way to model complex biological systems.
- Further research is needed as no single method addresses all challenges in multidimensional problems.
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