Group Leader, Computational Chemistry - Boston

About Frontier Medicines

Frontier Medicines, located in South San Francisco, CA and Boston, MA, is a precision medicine company that has pioneered a powerful discovery and development platform designed to generate medicines against disease-causing proteins previously considered undruggable. We are deploying our technologies in chemoproteomics, covalent drug discovery, and machine learning to develop a pipeline of groundbreaking medicines against the most important drivers of disease. Frontier has been recognized as a Fierce 15 company and a C&EN Start-Up to Watch. Our lead program targets both the active and inactive forms of KRASG12C, a validated driver in a number of cancers that until recently has been undruggable. Our pipeline embodies our vision of boldly advancing science to defeat disease, starting with cancer.

About the Role

Frontier Medicines is seeking a highly motivated individual to fill the position of Group Leader, Computational Chemistry at the Boston site. The successful candidate will play a leading role in developing medicinal chemistry optimization strategies for our most important drug discovery campaigns. He/she will be reviewing experimental results and develop SAR hypotheses for activity, selectivity and properties, and make suggestions to improve the profiles of our leading small molecule drug candidates. As a covalent drug discovery focused company, there is the opportunity for method development for this evolving field besides using the full arsenal of existing ligand- and structure based methods and insights from unbiased machine learning type algorithms. In addition, the candidate will have the opportunity to provide project leadership by driving strategies and experimental designs outside the area of core expertise, manage external resources in structural biology, CADD and informatics, and mentor junior scientists.

This role is key to Frontier Medicines’ success and an opportunity to join and work in a highly collaborative and energetic team in a startup environment with short communication lines across functions and departments, and routine interactions with senior leaders.

Key Responsibilities
  • Design, execute, and analyze computational chemistry experiments utilizing ligand-based and structure-based drug design strategies, and ADMET predictions.
  • Play a leading role in design efforts with expert knowledge of project SAR, off-target selectivity and, physiochemical and ADMET properties.
  • Contribute to project teams across all stages of a program, including: target selection, target validation, lead generation and lead optimization to enable delivery of novel drug candidates into clinical development.
  • Be curious, innovation driven, and willing to test out hypotheses and embark on novel method development.
  • Identify gaps in current in current methodologies, be able to implement new technologies in the field of computer aided drug design (CADD), and lead the internalization of promising approaches.
  • Effectively communicate with colleagues and stakeholders; create and present research updates and provide strategic input to team/company meetings.
  • Ph.D. in a computational chemistry or related discipline with multiple years of relevant experience in a biotech or pharma setting.
  • Expert level experience with a wide range of leading computional tools and approaches including ligand and structure-based techniques, ab initio methods, MD, FEP, QSAR and QSPR predictions/model development with application across all stages of a project from hit ID through to candidate nomination.
  • Expert knowledge with scripting languages (e.g. Python) is required.
  • The candidate should be driven, independent, experienced working in a cross-disciplinary team and thrive in a dynamic start-up environment.
  • Demonstrated track record of accomplishments, publications and conference presentations in computational chemistry and drug discovery.
  • Excellent writing and verbal skills are required.
  • Legally authorized to work in the US.

To apply, please send your resume to