Principal Scientist, Computational Chemistry

Expertise in virtual screening, HTS triaging, hit calling, and diversity analysis

Expertise in computational chemistry software, such as Schrödinger Suite, Rosetta, AlphaFold, Gromacs, or similar tools

Expertise in cheminformatics data analysis, data mining and machine learning models to solve drug discovery problems

Experience with ligand-based design approaches, QSAR, QSPR, multiparameter optimization to rationalize SAR and design novel molecules

A track record of publications, patents and/or conference presentations in computational chemistry and/or drug discovery

python, KNIME) and data analytics (Spotfire, DataWarrior, Pandas)

Weeklong summer and winter holiday shutdowns​

Generous paid time off and holiday policies​

Life/AD&D Insurance (premiums covered by Eikon at 100%) and optional supplemental employee-paid life/AD&D policies ​

Enhanced parental leave benefit​

Daily subsidized lunch program when on-site​

The expected salary range for this role is $204,000 to $223,250 depending on skills, competency, and the market demand for your expertise.

Deliver virtual screening workflows that leverage physics- and AI-based modeling methods involving ligand- and structure-based methods, ensemble docking, molecular dynamics, and free energy calculations

Provide computational chemistry program support across our drug discovery pipeline spanning target selection, HTS, hit identification/calling, hit to lead, and lead optimization

Provide guidance on the application of modern cheminformatics, ML/AI methods for library design (e.g.

diversity, focused, fragment, DEL) and analyzing large datasets from HTS campaigns to building predictive models from them

Routinely employ expert knowledge and analysis of SAR, physiochemical and ADMET properties

Work alongside medicinal chemists to further triage emerging hits for synthesis/purchase