Title: Championing the adoption of predictive sciences into the pharmaceutical discovery, process, and development space.
This talk will take place online on Thursday 7 July 2022 at 2pm UK time (you will receive the Zoom link after you register).
Registration: free, deadline 6 July 2022, click here to register
Abstract: The role of computational chemistry for supporting the early drug discovery pipeline is well understood, and predictive sciences groups supporting medicinal chemistry from target identification to nomination of clinical candidates are commonplace in the pharmaceutical industry. Until recently, the role of computational prediction in the process, analytical, and development space was far less common. An overview will be presented covering how a team of computational chemists was established to prospectively impact areas such as organic reaction design, biocatalyst design, machine learning based catalyst design, stereochemical assignment, NMR characterization, green chemistry, determination of peptide macrocycle conformer ensembles, and small molecule crystal structure prediction. With a strong partnership between process chemists and computational chemists, we can drive excellence in organic chemistry for the pharmaceutical industry.
Speaker: Ed Sherer received his undergraduate degree from Lake Forest College focusing on computational chemistry. As a Fulbright Fellow, he obtained an MPhil at the University of Nottingham where he worked alongside the great chemical physicist: Dr. Sarah Harris. After nearly deciding to stay in the UK for good, he pursued his PhD at the University of Minnesota. Ed’s first job was at Rib-X Pharmaceuticals and he then moved to Merck & Co., Inc where he initially worked as a computational modeler in discovery chemistry, later establishing computational support for process and analytical chemistry efforts. Currently, Ed is a Director of the NMR group. He is an ACS Fellow and spent many years working with the COMP Division of the ACS including holding the role of Chair. In his spare time he works as a volunteer firefighter.
