Director/Sr. Director/Exec. Director Computational Chemistry, Advanced Molecular Design

Company: Eli Lilly and Company
Location: Louisville
Posted on: February 20, 2026

Job Description:

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. The Lilly Small Molecule Discovery group is an organization purpose-built to create molecules that make life better for people. We focus on using cutting edge science to unlock new approaches that can treat people suffering from diseases with poor treatment options. We continually challenge ourselves to deliver molecules that can provide breakthrough efficacy with the highest possible safety margins. We are dedicated to optimizing our mindset, technology, and processes for faster, more nimble execution. Our success is built on a culture that empowers innovative problem solving through open collaboration and individual accountability. 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 experienced drug discovery experts who will apply 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 leadership 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 Contribution to decision-making at higher levels, up to and including prioritization of our overall small-molecule discovery portfolio Work closely with other AMD and therapeutic area leaders to move our portfolio of molecules from leads to quality drug candidates that have a strong potential to become breakthrough drugs Contribute to the ongoing evaluation of external technologies and related business development opportunities Basic Requirements : PhD in Chemistry, Biophysics or related discipline with 6 -15 years of Drug Discovery research experience. Additional Preferences : A deep scientific background in computational chemistry technology to guide compound optimization for medicinal chemists. Proven ability to collaborate across disciplines to achieve project goals and timelines. Proactive and effective collaboration with medicinal chemists, structural biologists, and other disciplines to achieve project goals and timelines A commitment to mentoring earlier career computational chemists Strong core desire to help patients in need Proven track record of success in drug discovery 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 proactive and highly engaged approach to solving challenging problems in discovery is essential 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 Deep 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 . The physical demands here are representative of those that must be met by an employee to successfully perform the essential functions of this job. 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. *To perform this job successfully, an individual must be able to perform the role and responsibilities satisfactorily. The requirements listed above are representative of the knowledge, skill, and/or ability required. Reasonable accommodations may be made to enable individuals with disabilities to perform the essential functions . 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 ( https://careers.lilly.com/us/en/workplace-accommodation ) for further assistance. Please note 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 International Leadership Network (JILN), Lilly India Network, Organization of Latinx at Lilly (OLA), PRIDE (LGBTQ Allies), Veterans Leadership Network (VLN), Women’s Initiative for Leading at Lilly (WILL), enAble (for people with disabilities). Learn more about all of our groups. Actual compensation will depend on a candidate’s education, experience, skills, and geographic location. The anticipated wage for this position is $193,500 - $338,800 Full-time equivalent employees also will be eligible for a company bonus (depending, in part, on company and individual performance). In addition, 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).Lilly reserves the right to amend, modify, or terminate its compensation and benefit programs in its sole discretion and Lilly’s compensation practices and guidelines will apply regarding the details of any promotion or transfer of Lilly employees. WeAreLilly

Keywords: Eli Lilly and Company, Littleton , Director/Sr. Director/Exec. Director Computational Chemistry, Advanced Molecular Design, Science, Research & Development , Louisville, Colorado