Abstract
This chapter contains the solutions to the practical exercises, which are focused on work with databases, the validation of structures, detection and extraction of fragments, detection of channels, characterization of structures via charges and calculation of channel characteristics.
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Notes
- 1.
IC50 is the concentration leading to a 50 % inhibition of reaction - these values are usually the easiest to measure for any inhibitor of a given protein target – an enzyme with a known reaction.
- 2.
K\(_\text {d}\) is a dissociation constant and it corresponds to the concentration of ligand at which the binding site of a protein is half occupied.
- 3.
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Koča, J. et al. (2016). Exercises Solution. In: Structural Bioinformatics Tools for Drug Design. SpringerBriefs in Biochemistry and Molecular Biology. Springer, Cham. https://doi.org/10.1007/978-3-319-47388-8_11
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DOI: https://doi.org/10.1007/978-3-319-47388-8_11
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