Principal Scientist, Peptide Computational Chemistry

OverviewWe are seeking a creative, self-motivated computational chemist with exceptional interpersonal and problem-solving skills to join our Modeling and Informatics (M&I) team. As part of the Discovery Chemistry family, M&I employs state of the art capabilities in predictive sciences, AI/ML and structure-based drug design to accelerate our invention of transformative therapeutics for patients. We are expanding our capabilities in peptide computational chemistry to support our strategy for next-generation therapeutic discovery. We are seeking a strategic thinker and accomplished computational drug hunter to lead our peptide modeling capability. This is a network-facing position, working across geographical and departmental boundaries to advance our computational capabilities for macrocyclic peptides. The role will influence discovery from target identification through delivery of clinical candidates across our peptide project portfolio, with in-house access to innovative screening techniques and world-class medicinal chemistry. Key responsibilities will include:Scientific Innovation: Design and optimization of peptide drug candidates using advanced computational techniques as a member of discovery teams; advancing peptide modeling capabilities through novel computational methodologies to drive impact; coordinating with adjacent functional teams to implement new methods and workflows to support peptide drug discovery including physics-based and AI/ML approaches; serving as a subject matter champion for ligand- and structure-based drug design across the discovery network.Building Relationships: Trusted partner for Discovery Chemistry and adjacent functions for peptide expertise; building collaborations with stakeholders across medicinal chemistry, pharmacokinetics & pharmacodynamics, quantitative biosciences, and therapeutic area biology; contributing to scientific growth and development of M&I and Chemistry colleagues as a mentor and influencer locally and across the network; contributing to the reputation of the company’s peptide capabilities through conferences, publications, and relationships with external experts.Strategy: Lead strategic initiatives to enable our future vision for computational chemistry with a focus on peptides; enable a design-driven and predict-first culture within Chemistry; contribute to the company’s overarching drug discovery strategy.Position QualificationsEducation Minimum Requirement:Ph.D. or M.S. degree in chemistry, biochemistry, biophysics, or equivalent with a computational emphasis.Required Experience and Skills:For Ph.D. holders: 8 years of relevant professional experience beyond graduation (Pharma, Biotech or equivalent), or 11 years with a Master’s degree.Exceptional oral and written communication skills with demonstrated ability to positively influence team decisions in drug discovery.Ability to communicate, collaborate and deliver results in a fast-paced, global environment and to manage multiple priorities.Ability to see the big picture and identify opportunities for impact now and in the future.Expertise in general molecular modeling techniques (docking, molecular simulation, homology modeling, quantum mechanics, QSAR / machine learning, ligand- and structure-based design) with modern software packages (e.g. Schrodinger, OpenEye, CCG).Experience in leading strategic scientific initiatives relevant to drug discovery.Skilled in scientific programming (e.g. Python, Pipeline Pilot) and data analytics (e.g. Spotfire) and democratizing coding and workflows.Passion for mentoring and coaching scientific peers.Preferred Experience and Skills:People management is possible for this position but can be tailored to fit the right candidate’s development pathway.EEO and Employment Information: We are an Equal Employment Opportunity Employer and we provide equal opportunities to all employees and applicants for employment and prohibit discrimination in any legally protected category. We comply with applicable laws and provide accommodations to applicants where required. #J-18808-Ljbffr

Created: 2025-09-21