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Director​/Sr. Director​/Exec. Director Computational Biophysics, Advanced Molecular Design; AMD

Job in Indianapolis, Marion County, Indiana, 46202, USA
Listing for: Lilly
Full Time position
Listed on 2026-06-17
Job specializations:
  • IT/Tech
    Data Scientist, AI Engineer (Applied/Software), Data Analyst, Machine Learning/ ML Engineer
Job Description & How to Apply Below
Position: Director/Sr. Director/Exec. Director Computational Biophysics, Advanced Molecular Design (AMD)
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.

** Location*
* ** s**  **:*
* ** Louisville, Colorado*
* ** and Indianapolis, Indiana*
* *
* Reports to:

*
* ** Associate VP**  **,*
* ** Computational Chemistry,*
* ** AMD*
* ** 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.  The AMD team is seeking an exceptional computational biophysicist to tackle the problems our discovery teams have yet to solve.  _This is not a traditional computational chemistry role_  - it is a scientific leadership position for someone who sits at the intersection of deep physical theory, computational methods, and AI-enabled data analysis, and uses that combination to transform intractable problems into tractable ones.

The ideal candidate engages with discovery teams when new perspectives, analyses, or solutions are needed, revealing understanding buried in datasets and structures, and provides teams with fundamentally deeper understanding leading to new paths forward. The position requires thinking at the level of first principles, building whatever tools are necessary, and measures success not by workflows delivered but by scientific understanding created.

** Responsibilities:*
* + Develop and deployadvancedphysics-based algorithmstocharacterizebiophysical processesandtheir applicationacross a range of therapeutic areas

+ Play a key role in prioritizingcomputational methods and workflows to efficiently and effectivelyenable drug discoveryeffortsleadingto highly focused work and rapid progress

+ Ensure thetimelydelivery ofdata and resultsto project teamstoenable rapiditerative design cycles

+ Maintain critical timelines and setteam expectations for theefficientdeliveryofcomputational technologieswith strong impactontherapeuticprograms

+ Work closely with other AMD and therapeutic area leaders tomoveour portfolio of molecules from leads to quality drug candidates that havea strong potential to become breakthrough drug

+ Contribute to theongoingevaluation of external technologies

** Basic Requirements** :

+  physics, chemistry, mathematics, computerscienceor related discipline

+ 10or moreyears of research experience

** Additional Preferences**  **:*
* + A deep scientific background intheoretical andcomputationalbiophysics

+ Proven track recordofleadership andsuccessapplyingcomputational biophysicstowardadeeperunderstanding ofstructure-functionrelationshipsin human health

+ Proactive and effectivecollaborationwithcomputational chemists,medicinal chemists, structural biologists, and otherdisciplinesto achieve project goals and timelines

+ A strong desiretoestablisha deeper understanding of all aspects of drug discovery, includingconformationalensemblesof biological systems,small molecule-protein interactions,physicochemical properties, andADME

+ A proactive and highly engaged approach to solving challenging problems indrugdiscovery

+ A desire tostaycontinually up to date with the latest industry developments and novel techniques employed in discovery,includingstatistical mechanics,free-energy and enhanced sampling methods,AI,and machine learning models

+ Excellent communication of goals and priorities todiscoveryteams

+ Agility andadaptabilitytochangeresearchprioritiesas necessary for success

+ A commitment to mentoringearlier careerscientists

+ Strong core desiretohelp patients in need

** Physical Demands/Travel:*
* The physical…
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