## Senior Scientist, Computational ChemistryApplylocations: Oxford, United Kingdomtime type: Full timeposted on: Posted Todaytime left to apply: End Date: June 19, 2026 (9 days left to apply)job requisition id: REQ-29266**Job Description**We are seeking a highly motivated and experienced Senior Scientist in Computational Chemistry to join our Computational Drug Design group in Oxford. The successful candidate will play a central role in advancing drug discovery projects through the innovative application of molecular modelling and computational chemistry approaches.As a key scientific contributor, you will generate and test design hypotheses, help shape project strategy, and work closely with scientists across multiple disciplines to guide the progression of novel compounds from hit identification through candidate nomination. You will be expected to provide clear and high-impact computational insight to guide project direction and decision-making.In addition to project-facing work, you will contribute to the development of internal molecular modelling capabilities, workflows, and scientific strategy. Success in this role requires strong scientific judgement, excellent communication skills, and the ability to thrive in a highly collaborative, cross-functional environment while fostering a culture of scientific excellence and innovation.Responsibilities:* Lead computational chemistry and molecular modelling efforts on active drug discovery projects to accelerate the identification and optimisation of drug candidates* Drive structure- and ligand-based molecular design using a range of computational techniques, including docking, molecular dynamics simulations, and free energy calculations* Generate mechanistic insight into protein–ligand interactions to support compound design and prioritisation* Apply AI/ML approaches, where appropriate, to support molecular design, compound prioritisation, and property optimisation* Make timely, data-driven decisions to maintain focus on key project objectives and deliver high-impact outcomes* Collaborate proactively with computational chemists, cheminformaticians, medicinal chemists, structural biologists, DMPK and safety scientists to develop strategy and drive project progression* Evaluate, implement, and communicate new methodologies, workflows, and best practices across teams* Contribute to the enhancement of internal R&D capabilities through cross-functional collaborationRequirements:* Ph.D. (or equivalent) in Computational Chemistry, Chemistry, Biophysics, or a related discipline* Significant relevant experience in small-molecule drug discovery, with a strong track record of impact in structure-based drug design* Deep understanding of protein–ligand interactions and their application to compound design* Hands-on experience with commercial and open-source molecular modelling software, such as Schrödinger, MOE, OpenEye, and workflow/data analysis tools such as KNIME or Pipeline Pilot* Experience applying computational methods such as docking, molecular dynamics, and free energy calculations to support project decisions* Strong motivation, excellent interpersonal, communication, and presentation skills, with the ability to work effectively in cross-functional teamsDesirables:* Relevant postdoctoral and/or industry experience* Track record of impactful publications, patents, and/or contributions to discovery pipeline progression* Scripting or programming experience in Python or similar languages* Experience in advanced Molecular Dynamics simulation methods and/or QM methods in drug discovery* Experience in AI/ML applications for drug discovery, including generative models or ligand/protein co-folding approaches**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### About Vertex## **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. For company updates and to learn more about Vertex's history of innovation, visit **www.vrtx.com** or follow us on Facebook,* *Twitter/X* *, LinkedIn, YouTube and Instagram.**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.*
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