Computational Chemistry Senior Research Scientist

Job Description

We are seeking a passionate and innovative Senior Research Scientist in Computational Drug Design to join our dynamic team at Vertex’s research site in San Diego, California. In this role, you will provide scientific leadership for computational chemistry efforts on active drug discovery programs, shaping design strategy and influencing compound prioritization through close partnership with medicinal chemists. You will leverage cutting-edge computational chemistry techniques to drive drug discovery efforts, from lead identification to optimization. Collaborating with interdisciplinary teams, you will apply your expertise in cheminformatics, molecular modeling, and data science to design and deliver transformative therapies. This is an exciting opportunity to contribute to the development of life-changing medicines while advancing computational capabilities within a global organization. This role also offers opportunities for growth toward increased scientific leadership, program ownership, and broader influence across Vertex’s computational drug discovery efforts.

Key Duties and Responsibilities:

• Serve as a member of multidisciplinary drug discovery teams, working closely with medicinal chemists, structural biologists, and DMPK scientists to translate computational insights into actionable design hypotheses at our San Diego site and across Vertex’s global network to maximize the impact of computational approaches.
• Develop and apply state-of-the-art computational chemistry methods, including machine learning (ML) techniques, free energy perturbation (FEP), and other molecular modeling techniques to guide compound design, accelerate decision-making, and reduce experimental cycles.
• Design and implement innovative in-silico strategies to address critical challenges in drug discovery programs.
• Partner with the Computational Drug Design and Chemical Data Science teams to identify and integrate novel methodologies that enhance computational impact.
• Drive effective communication and collaboration across departments to ensure seamless integration of computational workflows into drug discovery pipelines.
• Contribute to the continuous improvement of computational tools and methodologies in collaboration with the global Data and Computational Sciences (DCS) group.

Knowledge and Skills:

• Hands-on experience with a broad range of computational methods, including virtual screening, programming, statistics, data analysis, and ADME modeling.
• Proven expertise in applying molecular modeling methods to structure-based and/or ligand-based drug discovery.
• Deep knowledge of computational chemistry techniques, including FEP, ML, and QSAR.
• Proficiency with commercial and open-source molecular modeling and data mining software.
• Strong analytical and problem-solving skills, with the ability to manage multiple projects and priorities effectively.
• Excellent written and verbal communication skills, with a collaborative mindset.

education and Experience:

• Ph.D. (or equivalent degree) in engineering, science or math and 2-5 years of productive, relevant post-doctoral employment experience with a broad range of computational methods, including virtual screening, programming, statistics, data analysis, and ADME modeling. or
• Master’s Degree (or equivalent degree) in similar fields and 5+ years of productive, relevant employment experience, or
• Bachelor’s Degree (or equivalent degree) in similar fields and 8+ years of productive, relevant employment experience
• A track record of contributing to the development of innovative computational tools and methodologies.

#LI-KM1

#LI-Hybrid

Pay Range:

$125,600 – $188,400

Disclosure Statement:

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.

#LI-Hybrid

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

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 Human Resources at ApplicationAssistance@vrtx.com.