Associate Director/Director, Computational Chemistry

COMPANY DESCRIPTION Flagship Labs 111 Inc. (FL111) is a privately held, early-stage biotechnology company pioneering a novel platform harnessing innovations in chemistry, computation, and data science to create new therapeutic modalities beyond traditional small molecules. FL111 is backed by Flagship Pioneering, bringing the courage, vision, and resources to guide FL111 from platform validation to patient impact. We are seeking collaborative, creative and relentless problem solvers that share our passion for impact to join us! THE ROLE FL111 is seeking an AD/D, Computational Chemistry to play a central role in the design and optimization of heterobifunctional small molecules. This individual will work closely with medicinal chemists, biologists, and in vivo pharmacologists to develop and apply computational tools to guide molecular design decisions across the design–build–test–learn cycle. The successful candidate will contribute directly to molecular ideation, property optimization, and compound prioritization, with a particular focus on the unique challenges of heterobifunctional molecules. This is a hands-on, high-impact role in a fast-paced startup environment where computational insights directly shape experimental strategy. KEY RESPONSIBILITIES Molecular Design Optimization: Propose evaluate heterobifunctional small molecule designs, including ligand selection, attachment vectors, and linker architectures, with a strong focus on balancing target engagement, molecular properties, and synthetic efficiency. Cheminformatics Library Exploration: Perform cheminformatics analyses to identify chemical series that enable improved property profiles and simplified syntheses ADME Developability Assessment: Evaluate and predict key molecular properties (e.g., solubility, permeability, lipophilicity, clearance risk) and help prioritize compounds by integrating developability considerations. Structure-Based Computational Modeling: Apply structure-based modeling tools (e.g., docking, conformational analysis) to inform ligand selection, attachment strategy, and linker design, translating computational insights into clear, actionable design recommendations. Cross-Functional Collaboration: Work closely with chemistry, biology, and in vivo pharmacology teams to guide experimental planning, inform design–make–test cycles, and communicate computational insights clearly in project discussions and presentations. PROFESSIONAL EXPERIENCE QUALIFICATIONS PhD in Chemistry, Medicinal Chemistry, Computational Chemistry, or a related discipline, with 5+ years of relevant industry experience (or equivalent experience). Hands-on experience in computational medicinal chemistry or structure-based drug design. Demonstrated ability to propose and evaluate real, synthetically actionable molecular designs. Experience using cheminformatics tools for compound design, analysis and prioritization. Strong collaboration and communication skills: ability to work effectively in interdisciplinary teams. Prior experience working on heterobifunctional small molecules (e.g., PROTACs) is preferred Familiarity with ADME optimization challenges for large, flexible molecules is strongly preferred. Prior experience in an early-stage or startup biotech environment is preferred. About Flagship Pioneering Flagship Pioneering is a bioplatform innovation company that invents and builds platform companies, each with the potential for multiple products that transform human health or sustainability. Since its launch in 2000, Flagship has originated and fostered more than 100 scientific ventures, resulting in more than $90 billion in aggregate value. Many of the companies Flagship has founded have addressed humanity’s most urgent challenges: vaccinating billions of people against COVID-19, curing intractable diseases, improving human health, preempting illness, and feeding the world by improving the resiliency and sustainability of agriculture. Flagship has ... (truncated, view full listing at source)