User:Karsten Theis/Molecular Interactions

1. Predicting the existence of an interaction using structural information (i.e. atomic distances).

• 1.01 .

• 1.02

• 1.03 Predicting hydrogen bond donors or acceptors.

• 1.04 Explaining the electronic origin of the different non‐covalent interactions using appropriate 3D renderings.

• 1.05 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.

• 2.01 Identifying regions exposed or shielded from solvent within a biomolecule. (Novice)

• 2.02 Identifying small molecules in a local environment (e.g. solvent, salt ions, metals, detergents).

• 2.03 Predicting the impact of small molecules in the local environment on a molecular interaction.

• 2.04 Predicting how the pKa of an ionizable group depends on its local environment.

• 2.05 Proposing changes to the local environment that would yield a desired change in a molecular interaction.

• 2.06 Guessing, based on molecular visualization tools, which intermolecular force is most critical to stabilizing a given interaction.