Senior Computational Chemist/Molecular Modeller

Oxford, England, United Kingdom

6/10/2025

Job Description

We seek a highly motivated and experienced Computational Chemist to join our Computational Drug Design group in Oxford. The successful candidate will play a central role in driving drug discovery projects through the innovative application of molecular modelling and computational chemistry methods. As a key scientific contributor, you will generate and test design hypotheses, develop project strategies and work closely with Scientists across multiple disciplines to guide the progression of novel compounds from hit identification through to candidate nomination. In addition to project work, you will have the opportunity to contribute to developing internal molecular modelling capabilities, workflows and strategy. Success in this role requires strong interpersonal and communication skills. You will operate in highly collaborative cross-functional teams and help foster a culture of scientific excellence and innovation.

Responsibilities

• Lead molecular modelling effort on active Drug Discovery projects to accelerate the discovery and development of drug candidates.
• Drive structure and ligand-based molecular design by leveraging a range of computational techniques, including docking, MD simulations, and free energy calculations.
• Apply AI/ML approaches to design new chemical entities with optimal property profiles.
• Use timely decision-making to ensure focus and delivery of key project objectives, promoting a culture of high productivity and urgency.
• Proactively work with other computational chemists and cheminformaticians to evaluate and implement new methodologies, develop workflows and share best practices across teams.
• Seek opportunities to enhance internal R&D capabilities by working across functional boundaries with teams such as Structural Biology, DMPK, Safety Assessment, and others.
  
  

Essential Requirements

• Highly motivated, self-directed individuals qualified with a Ph.D. (or equivalent) in Computational Chemistry or a related discipline.
• Deep understanding of Drug Discovery and proven track record in small molecules SBDD
• Comprehensive familiarity with protein-ligand molecular interactions
• Experience with commercial and open-source molecular modelling software (e.g. Schrodinger, MOE, OpenEye, etc), and data mining software (eg, Knime PipelinePilot)
• Track record of applying free energy calculations (e.g. FEP, ABFE) to drug discovery
• Excellent interpersonal, communication and presentation skills
  
  

Desirables

• A minimum of 2+ years of postdoctoral experience.
• A track record of impactful publications, patents, and contributions to pipeline success.
• Scripting and programming expertise in languages such as Python
• Previous experience in advanced Molecular Dynamics simulations and Quantum Mechanics methods in drug discovery
• Previous experience in Generative AI and other AI/ML applications in drug discovery
• 1;
  
  

Flex Designation

Hybrid-Eligible Or On-Site Eligible

Flex Eligibility Status

In this Hybrid-Eligible role, you can choose to be designated as:

• Hybrid: work remotely up to two days per week; or select
• 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 [email protected]