Thursday 19 May 2022 – Thursday 19 May 2022

  

Join us to hear news and updates on CSD software, with live demonstrations delivered by our team of scientists.
In May, our theme is advanced searching for hit identification.

Hit identification, finding compounds with confirmed activity against the target, is a crucial stage in early drug discovery.

Because it is so early in the process, mistakes or missed opportunities in hit identification can increase the risk of significant loss of time and resources later on.

Conversely, employing data-driven, digital approaches here can save time; quickly highlighting opportunities with minimal cost.

 

In this webinar, we demonstrate two tools to improve in silico hit identification. You will learn how to find common interaction patterns and discover new hits.

  • Interactions: mine the CSD and PDB databases to identify repeat patterns and find alternative compounds.

  • Searching: fast substructure searching to find ligands with specific/similar structures; investigate interaction patterns between protein binding sites, waters, metals and small molecules; understand geometric patterns within small molecules bound to proteins.

 

Time: 4:00 PM BST / 11:00 AM EDT

Register here

  

Who should attend:

  • Pharmaceutical and drug discovery scientists

  • Agrochemical researchers

  • Computational chemists working in drug discovery

  • Medicinal chemists