User:Karsten Theis/Molecular Interactions

Molecular 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

spinqualitylabelsall models MI: covalent and noncovalent bonding governing ligand binding and subunit‐subunit interactions Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D 1. Predicting the existence of an interaction using structural information (i.e. atomic distances). Distinguishing between covalent and non-covalent interactions. You can turn off the Predicting hydrogen bond donors or acceptors. Explaining the electronic origin of the different non‐covalent interactions using . Ranking the relative strengths of covalent and non-covalent interactions in a given 3D rendering. 2. Evaluating the effect of the local environment on molecular interactions. Identifying regions exposed or shielded from solvent within a biomolecule. You can turn off the Identifying small molecules (e.g. solvent, salt ions, metals, detergents) in a local environment. Predicting the impact of small molecules in the local environment on a molecular interaction. 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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Karsten Theis