Advisor - Fragment-based Computational Design

Overview

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.

Lilly Small Molecule Discovery 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.

Discovery Technology and Platforms is a newly established function within this organization. Its mission is to accelerate molecule discovery by building highly optimized foundational platforms, streamlining lab operations through advanced technologies and data connectivity, and intentionally investing in novel technologies and capabilities.

About the Novel Platforms Team

The Novel Platforms team identifies and develops transformative technologies to improve hit finding, mechanism of action exploration, and molecular design. Through agile, hypothesis-driven research, we turn high-potential ideas into mature, robust platforms embedded across Lilly’s discovery organization.

Position Summary

Lilly Small Molecule Discovery is seeking a Computational Scientist to join our Novel Platforms Fragment-based Discovery team. We are reimagining Fragment-Based Lead Discovery (FBLD) by embedding computation at its core—from data curation and modeling to design, triage, and decision-making. You will be a key contributor to an interdisciplinary initiative spanning structural biology, biophysics, chemistry, and AI systems, with the mission of transforming how fragments are discovered, evolved, and optimized. You’ll develop and integrate cutting-edge tools, to extract insight from diverse experiments—SPR, NMR, crystallography, cryo-EM, virtual screens—and convert them into actionable hypotheses. Your work will directly impact how Lilly identifies, and advances leads against challenging targets.

Key Responsibilities

Scientific & Technical Leadership

• Utilize state-of-the-art software to grow, link and merge fragment hits into novel chemical designs as well as work with informaticians to develop novel methods to improve this process.
• Triage and extract key pharmacophoric and structural insights from early biophysics and fragment screening data.
• Build and improve on internal proprietary fragment libraries and develop bespoke cassette relevant to the target class being explored.
• Coordinate with internal and external chemistry resources to prioritize and ensure timely delivery of the chemical matter.
• Collaborate closely with biophysicists, structural biologists, medicinal chemists, and AI discovery teams.

Innovation & External Awareness

Required Qualifications

Additional Preferences :

Additional Information

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

$156,750 - $250,800

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

#J-18808-Ljbffr