Computational Chemistry Principal Research Scientist (Computational Drug Design)

Vertex Pharmaceuticals Incorporated; Boston (MA); Hybrid; USD 145,000 - 217,000; Full time

Benefits offered by this job

Hybrid work arrangement

Generous total rewards package

Job summary

Vertex Pharmaceuticals Incorporated in Boston seeks an experienced Computational Chemist to join the Computational Drug Design group. You will lead computational strategies for hit/lead discovery and optimization, collaborating with interdisciplinary teams to advance safe and efficacious molecules.

The role is hybrid, three days onsite, with the global Data and Computational Sciences group providing support for data analysis and AI method development. A Ph.D.

Qualifications

• Ph.D. in Computational Chemistry with 6+ years in computational drug design.
• Strong expertise in structure-based drug design and small-molecule optimization.
• Experience leveraging modern AI capabilities for design and discovery workflows.
• Proven ability to influence design and discovery strategy.

Responsibilities

• Apply computational chemistry methods to accelerate drug discovery and design.
• Provide scientific leadership across discovery programs and influence computational design approaches.
• Collaborate with medicinal chemistry and research teams to generate design hypotheses.
• Integrate structural, biological, and ADME/DMPK data to optimize compounds.
• Evaluate AI-enabled approaches for molecular design and decision support.

Skills

Python programming

Molecular modeling

AI in drug design

Data analysis

Communication skills

Education

Ph.D. in Computational Chemistry

Tools

Molecular modeling software

Job description

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 workstreams
• Proven success influencing design and discovery strategy
• Strong programming, data analysis, and communication skills

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 Total Rewards offerings also include inclusive market-leading benefits to meet our employees wherever they are in their career, financial, family and wellbeing journey while providing flexibility and resources to support their growth and aspirations. From medical, dental and vision benefits to generous paid time off (including a week-long company shutdown in the Summer and the Winter), educational assistance programs including student loan repayment, a generous commuting subsidy, matching charitable donations, 401(k) and so much more.

Flex Designation

Hybrid-Eligible Or On-Site Eligible

Flex Eligibility Status

In this Hybrid-Eligible role, you can choose to be designated as:
1. Hybrid: work remotely up to two days per week; or select
2. On-Site: work five days per week on-site with ad hoc flexibility.

Note: The Flex status for this position is subject to Vertex's Policy on Flex @ Vertex Program and may be changed at any time.

Company Information

Vertex is a global biotechnology company that invests in scientific innovation.

Vertex is committed to equal employment opportunity and non-discrimination for all employees and qualified applicants without regard to a person's race, color, sex, gender identity or expression, age, religion, national origin, ancestry, ethnicity, disability, veteran status, genetic information, sexual orientation, marital status, or any characteristic protected under applicable law. Vertex is an E-Verify Employer in the United States. Vertex will make reasonable accommodations for qualified individuals with known disabilities, in accordance with applicable law.

Any applicant requiring an accommodation in connection with the hiring process and/or to perform the essential functions of the position for which the applicant has applied should make a request to the recruiter or hiring manager, or contact Talent Acquisition at [e-mail]