Computational Chemistry Manager Jobs (NOW HIRING)

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

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.

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 ApplicationAssistance@vrtx.com.

Help Us Achieve Our Mission Vertex is a global biotechnology company that invests in scientific innovation to create transformative medicines for people with serious diseases. The company has approved medicines that treat the underlying causes of multiple chronic, life-shortening genetic diseases — cystic fibrosis, sickle cell disease and transfusion-dependent beta thalassemia — and continues to advance clinical and research programs in these diseases. Vertex also has a robust clinical pipeline of investigational therapies across a range of modalities in other serious diseases where it has deep insight into causal human biology, including APOL1-mediated kidney disease, acute and neuropathic pain, type 1 diabetes, myotonic dystrophy type 1 and alpha-1 antitrypsin deficiency. Founded in 1989 in Cambridge, Mass., Vertex's global headquarters is now located in Boston's Innovation District and its international headquarters is in London. Additionally, the company has research and development sites and commercial offices in North America, Europe, Australia, Latin America and the Middle East. Vertex is consistently recognized as one of the industry's top places to work, including 14 consecutive years on Science magazine's Top Employers list and one of Fortune’s 100 Best Companies to Work For.

The diversity and authenticity of our people is part of what makes Vertex unique, and we recognize that each employee brings diverse perspectives and strengths. By embracing those strengths and celebrating differences, we are fostering an inclusive culture where each of us can bring our authentic selves to work, inspire innovation together, and change people’s lives. Our vision is clear: to be the place where an authentic, diverse mix of talent want to come, to stay, and do their best work.