Postdoctoral Biophysical Chemist - AI-Driven Drug Discovery

Eli Lilly and Company; Indianapolis (IN); On-site; USD 58,000 - 123,200; Full time

Benefits offered by this job

401(k) plan

Medical benefits

Dental & Vision

Life insurance

Job summary

Lilly in Indianapolis is seeking a Postdoctoral Biophysical Chemist to join a cross-functional team advancing small molecule discovery. You will perform NMR experiments, integrate data with molecular dynamics and quantum calculations to study protein-ligand interactions.

The role emphasizes developing AI and neural networks, scripting workflows, and communicating progress in team settings. This fixed-term role supports structure-based drug design and collaboration with discovery scientists

Qualifications

• Ph.D. in Biophysical Chemistry or related field required.
• Strong biomolecular NMR foundation with focus on structure/dynamics.
• Experience integrating experimental data with simulations.
• Authorized to work in the United States full-time; visa sponsorship not provided.

Responsibilities

• Execute biophysical and biomolecular NMR experiments to explore energy landscapes.
• Integrate data with quantum mechanics, MD, and free energy calculations for drug design.
• Develop AI/NN approaches to build integrated structural models.
• Automate workflows across computational tools for throughput and reproducibility.
• Present progress in internal and external team meetings.
• Collaborate with discovery scientists to advance leads to candidates.

Skills

NMR expertise

Protein dynamics

AI/ML for structure

Molecular dynamics

Generative AI

Neural networks (CNN, GNN)

Python scripting

HPC/Cloud computing

Education

Ph.D. in Biophysical Chemistry, Biophysics, Computational Chemistry, or a related field

Tools

Python

Job description

Lilly in Indianapolis is seeking a Postdoctoral Biophysical Chemist to join a cross-functional team advancing small molecule discovery. You will perform NMR experiments, integrate data with molecular dynamics and quantum calculations to study protein-ligand interactions.

The role emphasizes developing AI and neural networks, scripting workflows, and communicating progress in team settings. This fixed-term role supports structure-based drug design and collaboration with discovery scientists