From Proteopedia
proteopedia linkproteopedia linkMolecular Interactions is one of the 12 themes of the BioMolViz framework. The theme is about covalent and noncovalent bonding governing ligand binding and subunit‐subunit interactions. Within the theme, there are two groups of competencies. This page provides exemplary 3D scenes with questions that invoke these competencies.
Competencies
| 1. Predicting the existence of an interaction using structural information (i.e. atomic distances).
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- Predicting donors or acceptors.
- Explaining the of the different non‐covalent interactions using .
- Ranking the relative strengths of in a given 3D rendering.
2. Evaluating the effect of the local environment on molecular interactions.
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- Identifying small molecules (e.g. solvent, salt ions, metals, detergents) in a local environment.
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- Predicting how the pKa of an ionizable group depends on its local environment.
- Proposing changes to the local environment that would yield a desired change in a molecular interaction.
- Guessing, based on molecular visualization tools, which intermolecular force is most critical to stabilizing a given interaction.
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References
