Scientist, Computational Chemistry/Cheminformatics

Job Description
About This Role
New drugs are discovered through creative design and pioneering medicinal chemistry. In this role, you will leverage your modeling skills and knowledge of computational chemistry to support the design and prioritization of new small molecules aimed to treat neurological and rare diseases. You will be expected to work in a team environment and to effectively communicate with co-workers from a variety of disciplines and scientific backgrounds.
What You’ll Do
Work within a project team as the lead computational chemistry to help with iterative improvement of compound potency and selectivity with desirable physicochemical properties for oral administration for CNS/peripheral targets.
Learn and apply property-based drug design tactics as applied to neuroscience small molecule drug discovery.
Utilize structure and ligand-based drug design with cutting edge software.
Perform virtual screening of internal and commercial compound libraries (including ultra large virtual libraries) against targets.
Perform analysis of high throughput screening results, data mining of internal and external databases to identify new hits.
Perform SAR data analysis to help medicinal chemists in lead optimization.
Perform binding energy calculations including Free Energy simulations of receptor-ligand complexes.