Associate Director, Computational Chemistry
About The Position
As an Associate Director of Computational Chemistry, you will be integral to our drug discovery efforts, applying structure-based drug design methods to optimize molecules and guide medicinal chemistry strategy through all parts of the discovery process. This position will be working collaboratively in cross-functional teams to deliver models, predictions and actionable insights that accelerate progress toward clinical development. You will join a team of highly skilled computational scientists eager to drive projects while developing and applying new tools and methods with exceptional scientific rigor. This is an exciting opportunity to join a growing computational chemistry team with the passion, resources and mandate to build a world-class group.
Requirements
- PhD in Computational Chemistry, Medicinal Chemistry, or a related field with 7-10+ years experience and demonstrated ownership of cross-functional research projects.
- Demonstrated track record of applying structure-based drug design to successfully advance multiple drug discovery projects through lead optimization stages.
- Experience supporting IND-enabling activities and contributing to regulatory filings.
- Deep expertise in molecular modeling techniques and industry-standard tools for molecular dynamics simulations, free energy calculations, protein-ligand docking, structure analysis, binding mode prediction, and design hypothesis generation from structural data.
- Strong understanding of medicinal chemistry principles, structure-activity relationships, and the interplay between potency, selectivity, ADME properties, and developability.
- Experience working with diverse structural biology data including X-ray crystallography and cryo-EM and translating these data into actionable medicinal chemistry recommendations.
- Proven ability to work effectively in fast-paced, collaborative drug discovery teams and communicate complex computational results to non-computational scientists to advance molecules from lead optimization toward clinical development.
Nice To Haves
- Experience and expertise evaluating chemical patent literature.
- Programming or scripting skills (Python, Bash) for workflow automation and data analysis in a Linux-based environment.
- Familiarity with covalent drug design and modeling of covalent fragments.
Responsibilities
- Act as the computational lead on therapeutic projects, conducting structure-based drug design efforts including molecular dynamics simulations, free energy perturbations, docking and structure analysis to guide medicinal chemistry synthesis priorities.
- Partner closely with medicinal chemists and project leads to interpret structural data, rationalize structure-activity relationships, and propose optimized compound designs that address potency, selectivity, and developability objectives.
- Contribute to lead optimization strategy by integrating structural insights with ADME, safety, and physicochemical property considerations to drive molecules toward clinical candidates.
- Communicate findings clearly to project teams and leadership, presenting design recommendations and structural insights that inform decision-making and advance programs.
- Stay current with advances in computational chemistry methods and the drug discovery environment, evaluating and implementing new approaches that enhance capabilities and improve results.
Benefits
- Comprehensive medical, dental, vision, prescription drug coverage
- company provided basic life, accidental death & dismemberment, short-term and long-term disability insurance
- tuition reimbursement
- student loan assistance
- a generous 401(k) match
- flexible time off
- paid holidays
- paid leave programs
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What This Job Offers
Job Type
Full-time
Career Level
Senior
Education Level
Ph.D. or professional degree
