Computational Chemistry Research Scientist (Computational Drug Design)

MFS Investments; Boston (MA); Hybrid; USD 108,000 - 162,000; Full time

Benefits offered by this job

Medical benefits

Dental benefits

Vision benefits

Paid time off

Student loan repayment

Commuting subsidy

401(k)

Job summary

Vertex Pharmaceuticals in Boston seeks a Computational Chemistry Research Scientist to advance hit/lead identification and optimization using molecular modeling, cheminformatics, data science and AI-enabled methods.

You will collaborate across disciplines, apply physics-based and AI approaches, and contribute to expanding Vertex’s computational chemistry capabilities in a fast-paced, innovative environment.

Qualifications

• Ph.D. in Computational Chemistry with 0–3 years of relevant experience.
• Strong expertise in structure-based drug design.
• Experience leveraging modern AI computational capabilities for design and discovery workstreams.
• Proven success influencing teams with computational methods.
• Strong programming, data analysis and communication skills.

Responsibilities

• Apply computational chemistry methods to accelerate drug discovery.
• Collaborate with chemists, structural biologists and biologists on projects.
• Leverage physics-based methods, generative models and machine learning to design new chemical entities.
• Develop workflows and share successful methods with the team.
• Contribute to Vertex’s computational chemistry capabilities and collaborate across groups.

Skills

Interpersonal skills

Communication

Python

Education

Ph.D. in Computational Chemistry

Tools

Molecular modeling software

Job description

# Computational Chemistry Research Scientist (Computational Drug Design)Vertex PharmaceuticalsBoston, MAFull-TimeSep 30, 2026Pharmaceutical## Job Description**Job Description****General Summary:** 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.**Key Duties and Responsibilities:*** Apply computational chemistry methods and tools to accelerate the discovery and development of drug candidates, in close collaboration with chemists, structural biologists, biologists and other research project scientists* Use timely decision making to ensure focus and delivery of key project objectives. Promote high levels of productivity and urgency* Leverage physics-based methods, generative models and machine learning approaches to design new chemical entities* Proactively work with other computational chemists and cheminformaticians to assess and develop new computational methodologies, create workflows and share successful methods* Contribute to the further development of Vertex’s computational chemistry capabilities* Seek out opportunities to improve Vertex’s global R&D capabilities through collaboration with DMPK, Structural Biology, Safety Assessment, and other groups. **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 0-3 years of productive, relevant employment experience in computational drug desin* Strong expertise in structure-based drug design* Experience leveraging modern AI computational capabilities for both design and discovery workstreams* Proven success influencing teams with computational methods* 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:**$108,000 - $162,000**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.