The value of computational chemistry

Computational chemistry is the process of modeling chemistry in silico

Ligand binding mode visualization showing a DPPIV ligand PDB: 2ONC

Photo of Dr Andy Smith

Dr Andy Smith is a Discovery Services Scientist at Cresset Discovery Services. He delivers computational chemistry projects to customers from pharma, biotech, agrochem, academia, flavour and fragrance industries.

An expert computational chemist, Andy has worked in academia, pharmaceutical and agrochemical organisations and CROs. His experience encompasses structure-based drug design and library design directed towards protein kinase inhibitors, multiple hydroxysteroid dehydrogenase projects and tubulin employing a broad range of structure-based and ligand-based design techniques, as well as printable electronics, combustion and odorants.