Scientific Director, Computational Chemistry
Neurocrine Biosciences
September 05, 2026
Full-time
Remote friendly (San Diego, CA)
Worldwide
Clinical Research and Development
Role: Lead computational chemistry strategies to accelerate drug discovery across Neurocrine Biosciences' portfolio, from early research through clinical candidate selection. Responsibilities: develop and implement molecular modeling, structure-based drug design, cheminformatics, and AI/ML approaches; collaborate with multidisciplinary teams (medicinal chemistry, structural biology, pharmacology, data science); evaluate and communicate computational insights to guide compound optimization; drive innovation through emerging technologies; oversee workflows and external collaborations; contribute to scientific publications and patent strategies; mentor junior scientists and shape strategic planning. Requirements: PhD in computational chemistry, organic chemistry, or related field with 8+ years of industry experience applying computational methods in drug discovery; extensive expertise in molecular modeling, structure-based design, cheminformatics, and AI/ML; proven leadership and team development skills; experience with small molecules, biologics, peptides, or targeted protein degradation modalities; familiarity with CNS/neuroscience research, cloud/HPC environments, and platforms like Schrรถdinger or OpenEye. Preferred: experience in CNS drug discovery, multi-modal design, and advanced computational workflows. HighValue: leadership in computational drug discovery, cross-modal expertise, AI/ML integration, and collaboration within neuroscience-focused biotech research environments.