Senior Scientist, Computational Chemist

Role Overview

An exciting opportunity has arisen for a Computational Chemist to join our client's innovative team, supporting their cutting‑edge drug discovery pipeline. Based in the UK, you will be instrumental in applying and developing computational techniques to advance the design and optimization of new therapeutics. This role offers the chance to work within a highly collaborative environment alongside multi‑disciplinary teams dedicated to transforming scientific insights into tangible healthcare solutions.

Our client is seeking candidates with a strong background in computational chemistry methods, including molecular dynamics, virtual screening, and machine learning applications. Whether you're at Senior Scientist, Associate Principal Scientist, or Principal Scientist level, this is a fantastic opportunity to make a real impact in the field of drug discovery.

Key Duties And Responsibilities

• Lead the development and execution of computational strategies across multiple drug discovery projects, from hit identification to lead optimization.


• Apply advanced molecular dynamics simulations (e.g., using AMBER, GROMACS, OpenMM) to investigate protein‑ligand interactions and system behaviour.


• Develop and utilize predictive QSAR models and machine learning techniques to improve molecular properties such as potency, selectivity, and ADMET.


• Design, implement, and maintain bespoke computational tools and workflows to analyze and visualize complex chemical and biophysical data.


• Mentor and train discovery scientists in computational methods, empowering the wider team to utilize these approaches effectively.

Role Requirements

• A degree or higher level in Chemistry, Biochemistry, or a related scientific field (e.g., Computational Chemistry, Drug Discovery, Machine Learning).


• Proven expertise applying computational chemistry methods within industrial or post‑doctoral settings, with demonstrated coding skills (particularly in Python) and experience using HPC resources (on‑premise or cloud platforms like GCP or AWS).


• Strong knowledge of cheminformatics tools and AI/ML techniques relevant to drug discovery, with the ability to critically evaluate and implement these technologies.

What’s in it for you?

Joining our client offers a dynamic environment where innovation and scientific excellence are at the forefront. You will contribute to pioneering projects that have the potential to make a significant impact on healthcare, working in a collaborative atmosphere that encourages professional growth and development.

Hyper Recruitment Solutions Ltd (HRS) is an Equal Opportunities employer. We welcome applications from anyone who meets the role requirements. HRS exclusively supports the STEM sectors, combining recruitment expertise with scientific knowledge to help you advance your career.

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