Postdoctoral Biophysical Chemist, AI-Driven Drug Discovery

BioSpace; Indianapolis (IN); On-site; USD 58,000 - 123,000; Full time

Job summary

Lilly, based in Indianapolis, Indiana, seeks a Postdoctoral Biophysical Chemist to join a cross-functional team supporting early molecule discovery. The role blends biophysical methods with computational chemistry to study protein-ligand interactions and protein motion within structure-based drug design.

You will develop AI-driven models, automate workflows, and work in an HPC/cloud environment to advance molecules from leads to candidates. This fixed-term position is onsite in Indianapolis.

Qualifications

• Ph.D. in Biophysical Chemistry, Biophysics, Computational Chemistry, or a related field.
• Strong foundation in biomolecular NMR with expertise in protein structure and dynamics.
• Demonstrated experience integrating experimental data with molecular dynamics.
• Authorized to work in the United States on a full-time basis. Lilly will not provide sponsorship for this role.

Responsibilities

• Execute biophysical and biomolecular NMR experiments to explore energy landscapes.
• Integrate experimental data with quantum mechanical calculations, MD simulations and free energy calculations.
• Develop and implement AI and neural networks for analyzing data and simulations.
• Script and automate workflows to maximize throughput and reproducibility.
• Stay current with emerging methods in computational drug discovery including AI/ML models.
• Communicate progress through oral and written presentations at team meetings.
• Collaborate with discovery scientists to advance portfolio molecules.

Skills

Biophysical chemistry

NMR techniques

Molecular dynamics

AI/ML

HPC/Cloud

Python

Education

PhD in Biophysical Chemistry or related field

Tools

GROMACS

NAMD

Python

Job description

Lilly, based in Indianapolis, Indiana, seeks a Postdoctoral Biophysical Chemist to join a cross-functional team supporting early molecule discovery. The role blends biophysical methods with computational chemistry to study protein-ligand interactions and protein motion within structure-based drug design.

You will develop AI-driven models, automate workflows, and work in an HPC/cloud environment to advance molecules from leads to candidates. This fixed-term position is onsite in Indianapolis.