Computational Chemistry Principal Research Scientist; Computational Drug Design

Position: Computational Chemistry Principal Research Scientist (Computational Drug Design)
Job Description 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.

Key

Duties and 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.

Knowledge and

Skills:

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

Education and Experience:

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 work streams

Proven success influencing design and discovery strategy

Strong programming, data analysis, and communication skills#LI-KM1#LI-Hybrid At Vertex, we embrace continuous learning and encourage employees to stay informed on advances in AI, technology, automation, and industry trends. We seek talent who bring an external perspective, demonstrate curiosity and sound judgment, and thoughtfully adopt new capabilities that improve decision-making, drive innovation, increase efficiency, and help deliver better outcomes for patients.

Pay Range:$144,800 - $217,200

Disclosure Statement:

The range provided is based on what we believe is a reasonable estimate for the base salary pay range for this job at the time of posting. This role is eligible for an annual bonus and annual equity awards. Some roles may also be eligible for overtime pay, in accordance with federal and state requirements. Actual base salary pay will be based on a number of factors, including skills, competencies, experience, and other job-related factors permitted by law.

At Vertex, our…