Scientific Director, Computational Chemistry
About The Position
Develops and leads innovative computational strategies to accelerate drug discovery across a Research and Development portfolio, from early discovery through clinical candidate nomination. Integrates computational approaches—including molecular modeling, cheminformatics, molecular dynamics, free energy perturbation, and AI/ML-driven drug design—to support data-driven decisions and optimize therapeutics across modalities, including small molecules and biologics. Works with multidisciplinary teams to provide molecular-level insight and computational expertise for compound design, potency and selectivity optimization, and assessment of design hypotheses. Represents Computational Chemistry across Research and Development functions and integrates internal and external technologies, collaborations, and resources to advance the company’s drug discovery strategy. Supports senior leadership with long-term strategic planning, technology innovation, resource management, and the evolution of computational capabilities. Serves as a mentor and scientific leader, fostering junior scientists and promoting excellence within the computational chemistry function.
Requirements
- Bachelor’s degree in chemistry or a related field and 12 or more years of experience applying computational chemistry in drug discovery; or a master’s degree in computational chemistry or a related field and 10 or more years of such experience; or a Ph.D. in computational chemistry, organic chemistry, or a related field and 8 or more years of such experience.
- Proven experience leading, managing, and developing scientific teams.
- Deep expertise in molecular modeling, structure-based drug design, and cheminformatics methods.
- Demonstrated experience applying computational approaches to small molecules and/or emerging modalities.
- Experience integrating computational chemistry into multidisciplinary drug discovery teams.
- Strong record of scientific achievement, including publications and/or patents.
- Experience with AI/ML approaches in drug discovery, including predictive modeling and generative design.
- Expertise in ligand- and structure-based drug design for small molecules and other modalities, including peptides, biologics, and targeted protein degradation.
- Ability to meet multiple deadlines across diverse projects and programs with accuracy and efficiency.
- Ability to understand the team’s place in the broader organization and discuss changes, progress, and issues in relation to other areas.
- Ability to influence strategy across functions and organizational levels, and develop and implement strategy within areas of responsibility.
- Expert knowledge of own function and broad knowledge of multiple functions and their business impact.
- Broad knowledge of scientific principles and theories and intellectual mastery of multiple scientific areas.
Nice To Haves
- Familiarity with CNS drug discovery or neuroscience-focused research.
- Experience with cloud computing and high-performance computing environments, including programming computational workflows in Knime or an equivalent.
- Expertise with industry-standard computational chemistry platforms such as Schrödinger, OpenEye, MOE, or similar.
Responsibilities
- Develop, implement, and enforce scientifically sound computational chemistry strategies supporting drug discovery from target validation through lead optimization and candidate selection.
- Lead the use of molecular modeling, structure-based drug design, ligand-based design, and AI/ML approaches for compound design and optimization.
- Partner with medicinal chemistry, structural biology, pharmacology, and data science teams to incorporate computational insights into project strategies and decisions.
- Evaluate, interpret, and communicate computational results, providing strategic direction to project teams and senior management on compound design and program progression.
- Evaluate and implement emerging computational technologies, including generative chemistry, predictive modeling, and large-scale data analysis.
- Establish and oversee computational workflows, best practices, and reproducible methods for high-quality, efficient research.
- Represent Computational Chemistry across R&D teams and contribute to program strategy, portfolio discussions, and governance forums.
- Provide strategic oversight for external collaborations, including academic partnerships, technology vendors, and contract research organizations.
- Contribute to intellectual property strategy, scientific publications, and external presentations.
- Participate in selecting, developing, and evaluating personnel to support efficient team operations and growth.
- Maintain current knowledge of industry trends, emerging technologies, and scientific advances in computational chemistry and drug discovery.
- Mentor junior scientists and support the development of the computational chemistry function.
- Complete other tasks as assigned.
Benefits
- Annual bonus with a target of 35% of earned base salary.
- Eligibility to participate in an equity-based long-term incentive program.
- Retirement savings plan with company match.
- Paid vacation, holidays, and personal days.
- Paid caregiver, parental, and medical leave.
- Medical, prescription drug, dental, and vision coverage.
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What This Job Offers
Job Type
Full-time
Career Level
Director
