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Computational approaches to macromolecular interactions in the cell.
1Computational Biology Program and Department of Molecular Biosciences, The University of Kansas, Lawrence, KS 66045, USA.
Current Opinion in Structural Biology
|April 19, 2019
Summary
Computational structural biology is advancing whole cell modeling by integrating diverse techniques and data. The key challenge lies in unifying these approaches into a single, consistent model of cellular structures.
Area of Science:
- Computational structural biology
- Structural modeling of cellular systems
Background:
- Advancements in modeling techniques and experimental data generation fuel progress.
- Existing methods address principal macromolecular assemblies within cells.
Purpose of the Study:
- To review fundamental aspects of modeling cellular macromolecular assemblies.
- To present the current state-of-the-art in modeling these assemblies.
Main Methods:
- Leveraging new computational modeling techniques.
- Integrating knowledge of molecular structure and assembly principles.
- Utilizing extensive structural data from experimental methods.
Main Results:
- Key modeling approaches for major macromolecular assemblies are established.
- The primary challenge is the integration into a unified whole cell model.
Conclusions:
- Further development requires unifying existing modeling approaches.
- A consistent, integrated whole cell model is the ultimate goal.
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