Principle Scientist – Computer Aided Drug Discovery, Integrated Drug Discovery
Job location
Cambridge, Massachusetts
Type
Full Time
Responsibilities:
Act as CADD lead for medicinal chemistry projects and initiatives.
Provide computational chemistry support, including cheminformatics, structure and ligand-based hit identification, and lead optimization.
Perform in-depth analysis of project data, such as HTS results, biochemical assay results, and biophysical data, and propose new studies and experiments.
Develop and apply predictive models to support medicinal chemistry efforts in the design and prioritization of novel bioactive compounds based on emerging data.
Closely monitor biological data (biochemical, biophysical, DMPK, pharmacological, safety) to detect trends and assist project direction.
Use knowledge and experience to proactively collaborate with other team members to design target compounds that address challenges and/or test a hypothesis.
Understand and articulate the scientific rationale of the project to other scientists.
Provide formal and informal mentoring of computational tools within the project team and medicinal chemists in the department.
Conduct and analyze patent searches, assess the patentability of designed compounds, and assist with the filing of patent applications.
Actively participate in project team meetings, communicate in a clear and precise manner, raise questions that positively influence project direction.
Work closely with medicinal chemistry & structural biology scientists with shared ownership and accountability of the project.
Communicate and interact with staff members in a professional and courteous manner.
Participate in international global CADD council to prioritize software, resources, and CADD workflows
Champion new modeling techniques and participate in software evaluation and recommendation.
Collaborate with data scientist to implement predictive models/tools within informatics platform.
Adapt to changes and challenges in a productive and professional manner.
Conduct work according to HSE guidelines and adhere to all mandatory company compliance requirements.
Act as an ambassador for the department and company, attend appropriate scientific meetings to increase knowledge and stay current with journal and patent literature.
Requirements & Skills:
Ph.D. in computational chemistry, chemical informatics, physical organic chemistry, biophysics, medicinal chemistry or related field with minimum of 10 years of relevant research experience in an academic or biopharmaceutical setting.
Strong understanding of computational modeling techniques includes QSAR methods, pharmacophore development, 2-D and 3-D similarity, data mining and visualization, protein modeling, conformational analysis, molecular docking, and library analysis and design.
Proficient in the use of modeling techniques and capable of developing and automating workflows.
Demonstrated experience in developing and applying predictive method for on- and off-target activity, physicochemical and ADME properties.
Demonstrated experience in multi-parameter optimization by designing small molecule targets with synthetic feasibility and foundational understanding of organic chemistry, medicinal chemistry, and DMPK principles.
Demonstrated skills in developing and implementing AI-based algorithms and methods for compound design.
Consistent record of publications, patents, external presentations, and involvement in professional societies.
Demonstrated ability to develop new ideas to solve complex problems and move projects forward.
