Much has been published in the scientific literature on aromatic–aromatic interactions, leading many to believe there isn't more to discover. However, the rapid growth of the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB) continues to create new opportunities for new insights in this area.
During this webinar, John Liebeschuetz, Computational Chemist at Astex Pharmaceuticals, will focus on the theory and practice of mining structural databases for aromatic–aromatic interactions and analysing the findings. He will examine the geometric corrections needed for plotting data in reduced dimensions and how these results compare to theoretical expectations.
We will discuss important considerations when comparing search results from the CSD with theoretical models and results from the PDB. By the end of the talk, attendees should have a clear framework for understanding and appreciating the role of aromatic-aromatic interactions in both material science and life sciences.
During this webinar, John Liebeschuetz, Computational Chemist at Astex Pharmaceuticals, will focus on the theory and practice of mining structural databases for aromatic–aromatic interactions and analysing the findings. He will examine the geometric corrections needed for plotting data in reduced dimensions and how these results compare to theoretical expectations.
We will discuss important considerations when comparing search results from the CSD with theoretical models and results from the PDB. By the end of the talk, attendees should have a clear framework for understanding and appreciating the role of aromatic-aromatic interactions in both material science and life sciences.
