Computational Chemistry Principal Research Scientist (Computational Drug Design)

Role: Senior Computational Chemist in drug discovery, focusing on hit/lead identification and optimization using molecular modeling, cheminformatics, data science, and AI methods. Responsibilities: apply computational techniques to accelerate molecule design, lead cross-functional teams, integrate structural and ADME/DMPK data, evaluate AI approaches, communicate findings, and mentor junior scientists. Requirements: Ph.D. in Computational Chemistry or related, 6+ years of relevant experience, expertise in structure-based drug design, proficiency with modeling software, scripting in Python, and knowledge of drug development concepts. Preferred: experience with beyond-rule-of-five modalities and AI-driven discovery. High-Value: biologics or small molecules, early to late-stage discovery, emphasis on AI-enabled methods, and collaboration across global teams. Work Setup: hybrid Boston, 3 days onsite.