Postdoctoral Scientist, Biophysics

About the role

The successful candidate will join an interactive, collaborative, and innovative cross-functional team to develop and apply integrative biophysical and computational methods that accelerate the discovery of new medicines. They will execute biophysical and biomolecular NMR experiments, integrate experimental data with advanced quantum mechanical calculations, molecular dynamics simulations and free energy calculations, and develop and implement novel AI and neural networks for analyzing experimental and molecular dynamics simulations into integrated structural models.

Responsibilities

• Execute biophysical and biomolecular NMR experiments to explore biomolecular energy landscapes and conformations.
• Integrate experimental data with advanced quantum mechanical calculations, molecular dynamics simulations and free energy calculations to study protein motion, protein-ligand interactions, and protein-protein interactions in support of structure-based drug design.
• Develop and implement novel AI and neural networks for analyzing experimental and molecular dynamics simulations into integrated structural models.
• Script and automate workflows across computational software platforms to maximize throughput and reproducibility of molecular calculations.
• Stay current with emerging methods in computational drug discovery, including AI and machine learning models for ligand binding and model building.
• Maintain critical timelines and communicate progress clearly through oral and written presentations at internal and external team meetings.
• Collaborate with discovery scientists to advance portfolio molecules from leads to quality drug candidates.

Requirements

• 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.

Qualifications

• Experience in generative AI, especially building and training neural networks (CNN, GNN, etc.).
• Experience with molecular dynamics simulations, quantum mechanical or free energy calculation methods applied to protein-ligand systems.
• Proficiency in Python and/or other scientific scripting and programming languages.
• Ability to work effectively both independently and in a collaborative team environment.
• Experience working on an HPC or Cloud computing environment.
• Experience integrating structural biology data (cryo-EM, X-ray crystallography, NMR or AI-predicted structures) with computational models.
• Strong interpersonal, organizational, and problem-solving skills.

Skills & Preferences

• Experience with generative AI, especially building and training neural networks (CNN, GNN, etc.).
• Experience with molecular dynamics simulations, quantum mechanical or free energy calculation methods applied to protein-ligand systems.
• Proficiency in Python and/or other scientific scripting and programming languages.
• Ability to work effectively both independently and in a collaborative team environment.
• Experience working on an HPC or Cloud computing environment.
• Experience integrating structural biology data (cryo-EM, X-ray crystallography, NMR or AI-predicted structures) with computational models.
• Strong interpersonal, organizational, and problem-solving skills.

Benefits

• Lilly offers a comprehensive benefit program to eligible employees, including eligibility to participate in a company-sponsored 401(k); pension; vacation benefits; eligibility for medical, dental, vision and prescription drug benefits; flexible benefits (e.g., healthcare and/or dependent day care flexible spending accounts); life insurance and death benefits; certain time off and leave of absence benefits; and well-being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities).

Pay

The anticipated wage for this position is $58,000 - $123,200.

Schedule

This is an onsite position based in Indianapolis, Indiana. This position is not permanent. It is a fixed-term position up to 2 years.