Principal Computational Chemist

Job Type:
Job Sector:
South East
Salary Description:
Hyper Recruitment Solutions
Job Ref:

We are currently looking for a Principal Computational Chemist to join a leading drug discovery CRO company based in the Hertfordshire area. As the Principal Computational Chemist you will be responsible for providing computational chemistry support for multiple drug discovery projects for their client base.


Your duties as the Principal Computational Chemist will be varied however the key duties and responsibilities are as follows:

1. As a principal computational chemist you will drive small molecule drug discovery projects ranging from lead generation and optimisation to candidate selection, by creatively applying your expertise to provide excellent delivery on projects.

2. You will present collaborate with medicinal and synthetic chemists to provide clear data analyses, actionable hypotheses and a clear direction of drug discovery projects of clients.

3. As a principal computational chemist you will present plans, innovative ideas and achievements to external partners and internal stakeholder including the senior management team.

4. You will provide scientific and operational support to the drug discovery department, whilst being willing to develop new skills within computational technology.


To be successful in your application to this exciting opportunity as the Principal Computational Chemist we are looking to identify the following on your profile and past history:

1. PhD in Computational Chemistry, Cheminformatics, Drug Design or another related discipline.

2. Proven industry experience in small molecule drug discovery projects including structure and ligand-based design using commercial molecular modelling software.

3. A working knowledge physiochemical properties and DMPK including their importance within drug design and development and working practical experience with cheminformatics methods and databases.

4. Proficiency in a common scripting language and pipelining tools, and any experience with machine learning or predictive technologies would be an advantage.

Key Words: Computational chemistry, Chemistry, Drug discovery, Drug design, Machine learning, AI, QSAR, DMPK, Molecular modelling, Stucture-based, Ligand-based, Programming, Molecular dyanmics, Quantum chemistry, Cheminformatics, Homology modelling, Docking, Virtual screening, Projects, CRO

Hyper Recruitment Solutions Ltd (HRS) is an Equal Opportunities employer who are certified by Investors in People for talent development. We therefore welcome applications for any interested parties who fulfil the role requirements for this position. HRS is a company exclusively supporting the science and technology sectors, and is made up of a collaboration of recruitment professionals and scientists. We look forward to helping you with your next career moves.

Contact Details:
Hyper Recruitment Solutions
Tel: 0161 507 0450
Contact: Lucie McGrath

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