4 ms·
Re drug discovery, often times in “rational” drug design, medicinal chemists try to make small molecules that bind snuggly into a binding pocket on the protein.
by superfx 9y ago
Re drug discovery, often times in “rational” drug design, medicinal chemists try to make small molecules that bind snuggly into a binding pocket on the protein. Having the structure of the protein aids greatly in that process.
- xiao_haozi 9y agoYes! And I'd also add that there are others that come into play... * Elucidating function by identifying similarity to other known structures * Finding novel signaling mechanisms (see work on PHinder) * Modeling co-receptor/ligand dynamics * Identifying function of orphan receptors * Working with ancestral genes by identifying descendant structure * Classifying and clustering proteins based on solved structure * Learning new biochemical mechanisms through active vs inactive state structures ...