Computational Chemistry Principal Research Scientist (Computational Drug Design)

Vertex Inc.•Boston, MA

3d•$144,800 - $217,200•Hybrid

About The Position

We are seeking a highly motivated and experienced computational chemist to join our Computational Drug Design group in Boston. This individual will be responsible for contributing to both hit/lead identification and optimization programs using a broad range of computational approaches including molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate's responsibilities include close interaction with interdisciplinary projects teams to identify and advance safe and efficacious molecules. In addition, this individual will work collaboratively within the global Data and Computational Sciences group to provide expertise in data analysis, computational chemistry and AI method development. This individual must demonstrate strong interpersonal skills and the ability to guide scientists in drug discovery. This is a Boston based, hybrid position requiring 3 days/week onsite.

Requirements

Excellent interpersonal, communication and presentation skills
In depth knowledge of state-of-the-art computational chemistry and its application in drug discovery
Experience with commercial and open-source molecular modeling software
Knowledge of concepts related to drug discovery and development
Strong solution-oriented attitude, spirit of innovation and creativity, good time and priority management
Scripting and programming expertise in languages such as Python
Ph.D. (or equivalent degree) in Computational Chemistry and 6++ years of productive, relevant employment experience in computational drug design, with demonstrated progression in scientific leadership
Strong expertise in structure-based drug design and optimization of small molecules; experience with beyond-rule-of-five modalities is desirable
Experience leveraging modern AI computational capabilities for both design and discovery workstreams
Proven success influencing design and discovery strategy
Strong programming, data analysis, and communication skills

Nice To Haves

experience with beyond-rule-of-five modalities is desirable

Responsibilities

Apply computational chemistry methods and tools to accelerate the discovery and design of drug candidates.
Provide strategic scientific leadership across multiple discovery programs and influence computational design approaches across the organization.
Partner with medicinal chemists and other research team members to generate design hypotheses and use predictions to drive experimental decision making.
Integrate structural, biological, and ADME/DMPK data to optimize compound profiles.
Evaluate, apply, and help advance AI-enabled approaches for molecular design, prediction, and decision support in drug discovery.
Communicate findings and recommendations to project and functional teams as well as leadership.
Mentor junior scientists and contribute to computational best practices.