Computational Chemistry Senior Principal Scientist

5020 - Vertex UK - Milton Park R&D, United Kingdom

Vertex Pharmaceuticals

Vertex Pharmaceuticals invests in scientific innovation to create transformative medicines for people with serious diseases.

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Job Description

General Summary:

We seek a highly motivated and experienced Senior Principal Computational Chemist to join our Computational Drug Design Group in Oxford. This senior role presents an opportunity to drive scientific innovation and strategic direction, applying advanced computational methods to accelerate drug discovery and optimization, directly influencing pipeline progression and clinical translation. A proven track record of progressing small molecule therapy to the clinic is required.

The successful candidate will:

  • Lead and implement a computational chemistry strategy within project teams, providing deep scientific expertise to identify and optimize molecules with the potential to become safe and effective medicines

  • Drive the application and development of cutting-edge physics-based methods (e.g. FEP, ABFE, QM) to enhance molecular design, binding affinity predictions, and property optimization

  • Collaborate with the internal Data and Computational Sciences group to provide expertise in data analysis and cheminformatics

Key Responsibilities:

  • Make high impact, data-driven decisions to prioritize compound progression, ensuring alignment with project timelines and strategic goals

  • utilize cutting-edge computational techniques to drive hit identification and lead optimization programs

  • Leverage physics-based methods, AI generative models and machine learning approaches to design innovative chemical entities

  • Proactively seek opportunities to enhance Vertex’s global R&D efforts through cross-functional collaboration with DMPK, Structural Biology, Safety Assessment, and Data Science teams

  • Make timely decision to maintain focus and achieve key project objectives, fostering high productivity and a sense of urgency

  • Stay at the forefront of computational chemistry innovations, proactively incorporating emerging tools and technologies to enhance team capabilities

  • Mentor and guide junior scientists, fostering a culture of innovation, collaboration and scientific excellence

Skills and qualifications required:

  • Highly motivated, self-directed professional with a Ph.D. (or equivalent) in Computational Chemistry or related discipline. A minimum of 7 years of industrial experience in drug discovery is required

  • A strong understanding of drug discovery and development principles, with proven expertise in applying a wide range of molecular modelling techniques to structure-based, ligand-based, and fragment-based projects within the pharmaceutical industry

  • An in-depth knowledge of physics-based methods and state-of-the-art computational chemistry approaches and their application to drug discovery

  • Proficiency with commercial and/or open-source molecular modelling and data mining software

  • Experience in scripting and programming languages such as Python

  • A strong problem-solving mindset, with a spirit of innovation, creativity and adaptability

  • Effective time and priority management skills to drive projects forward

  • Excellent leadership, communication and decision-making skills, fostering collaboration across teams

#LI-hybrid #LI-SG-1

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.

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

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Category: Data Science Jobs

Tags: Biology Chemistry Data analysis Data Mining Drug discovery Generative modeling Industrial Machine Learning Open Source Pharma Physics Python R R&D Vertex AI

Perks/benefits: Career development

Region: Europe
Country: United Kingdom

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