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Advisor - Scientific Lead - Computational Chemistry, Advanced Molecular Design

Job in Louisville, Boulder County, Colorado, 80028, USA
Listing for: BioSpace
Full Time position
Listed on 2026-02-28
Job specializations:
  • IT/Tech
    Data Scientist, Data Analyst, Machine Learning/ ML Engineer
Salary/Wage Range or Industry Benchmark: 80000 - 100000 USD Yearly USD 80000.00 100000.00 YEAR
Job Description & How to Apply Below

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first.

We’re looking for people who are determined to make life better for people around the world.

Overview

At Lilly, we serve an extraordinary purpose. We make a difference for people around the globe by discovering, developing and delivering medicines that help them live longer, healthier, more active lives. Not only do we deliver breakthrough medications, but you also can count on us to develop creative solutions to support communities through philanthropy and volunteerism.

Position Summary

Lilly’s Advanced Molecular Design (AMD) team is responsible for small molecule lead optimization with rapid progress toward new clinical candidates for patients in need. We are currently looking for an early career scientist dedicated to applying cutting edge computational chemistry tools in our close collaborative efforts with our colleagues across medicinal chemistry and structural biology. The ideal candidate will be passionate about a holistic approach to drug discovery, where all aspects of molecular design are considered and thoughtfully anticipated up to and including clinical trials.

Interactive communication and interpersonal collaboration will be essential to successfully fulfilling this important role in Lilly Small Molecule Discovery.

Responsibilities
  • Structure-based design efforts for the lead/late-stage optimization of small molecule therapeutics across a range of therapeutic areas
  • Play a key role in prioritizing medicinal chemistry efforts through critical analysis and effective decision-making leading to highly focused work and rapid progress
  • Ensure the timely delivery of data and results to project teams to enable rapid iterative design cycles
  • Maintain critical timelines and set team expectations for efficient delivery of clinical candidates
  • Work closely with other discovery scientists to move our portfolio of molecules from leads to quality drug candidates that have a strong potential to become breakthrough drugs
Basic Requirements
  • PhD with 0 to 5 years of Drug Discovery research experience
Additional Preferences
  • A scientific background in computational chemistry and related technology applied to guide compound optimization for medicinal chemists
  • Proactive and effective collaboration with medicinal chemistry, structural biology, and other disciplines to achieve project goals and timelines
  • Strong core desire to help patients in need
  • Deep-thinking that leads to creative hypotheses for the optimization of lead series across multiple projects
  • A strong desire to establish a deeper understanding of all aspects of drug discovery, including small molecule-protein interactions, ADME, and toxicological considerations
  • A desire to continually stay up to date with the latest industry developments and novel techniques employed in discovery including AI and machine learning models
  • A proactive and highly engaged approach to solving challenging problems in discovery is essential
  • Knowledge of lead optimization using structure-based design and other aspects of computational chemistry
  • Agility and adaptability to change research priorities as necessary for success
Physical Demands/Travel

The physical demands of this job are consistent with an office environment. Travel may be required.

Work Environment

This is an onsite position located in one of the established Lilly med chem sites in San Francisco, California or Louisville, Colorado. The work environment characteristics described here are representative of those an employee encounters while performing the essential functions of this job.

Equal Employment Opportunity and Accommodation

Lilly is dedicated to helping individuals with disabilities to actively engage in the workforce, ensuring equal opportunities when vying for positions. If you require accommodation to submit a resume for a position at Lilly, please complete the accommodation request form for further assistance. This is for individuals to request an accommodation as part of the application process and any other correspondence will not receive a response.

Lilly is proud to be an EEO Employer and does not discriminate on the basis of age, race, color, religion, gender identity, sex, gender expression, sexual orientation, genetic information, ancestry, national origin, protected veteran status, disability, or any other legally protected status.

Our employee resource groups (ERGs) offer strong support networks for their members and are open to all employees. Our current groups include:
Africa, Middle East, Central Asia Network, Black Employees at Lilly, Chinese Culture Network, Japanese…

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