Senior Computational Chemist/Molecular Modeller

Vertex; Oxford; Hybrid; GBP 45,000 - 80,000; Full time

Job summary

An innovative biotechnology company is seeking a passionate Computational Chemist to join its dynamic team in Oxford. In this pivotal role, you will leverage advanced molecular modelling and computational chemistry techniques to drive drug discovery projects. Collaborating with experts across various disciplines, you will help shape the future of drug development by generating and testing design hypotheses. This position offers the opportunity to contribute to cutting-edge research while fostering a culture of scientific excellence and innovation. If you are a motivated individual with a strong background in computational chemistry and a desire to make a meaningful impact, this role is perfect for you.

Qualifications

• Ph.D. in Computational Chemistry or related discipline required.
• Experience in small molecule structure-based drug design (SBDD) is essential.

Responsibilities

• Lead molecular modelling efforts on drug discovery projects.
• Collaborate with cross-functional teams to enhance R&D capabilities.

Skills

Computational Chemistry

Molecular Modelling

Drug Discovery

AI/ML Applications

Interpersonal Skills

Communication Skills

Education

Ph.D. in Computational Chemistry

Tools

Schrodinger

MOE

OpenEye

Knime

PipelinePilot

Python

Job description

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:

1. Lead molecular modelling efforts on active drug discovery projects to accelerate the discovery and development of drug candidates.
2. Drive structure- and ligand-based molecular design by leveraging a range of computational techniques, including docking, MD simulations, and free energy calculations.
3. Apply AI/ML approaches to design new chemical entities with optimal property profiles.
4. Make timely decisions to ensure focus and delivery of key project objectives, promoting a culture of high productivity and urgency.
5. Proactively collaborate with other computational chemists and cheminformaticians to evaluate and implement new methodologies, develop workflows, and share best practices across teams.
6. 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:

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

Desirables:

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

#LI-SG-1; #LI-hybrid

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;
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 race, color, sex, gender identity or expression, age, religion, national origin, 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. Reasonable accommodations will be made for qualified individuals with known disabilities, in accordance with applicable law.

Applicants requiring accommodations should contact Talent Acquisition at [e-mail].