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Computational Chemist

14 February 2018

Heptares Therapeutics is an established UK biotech company with world-class technology in structure-based drug design applied to discovery of novel small molecules acting through GPCRs.

The company is developing its own pipeline of proprietary molecules, and works in collaboration with major global pharmaceutical companies on both small molecule and antibody discovery programmes. The most advanced of these are now in clinical studies with others moving towards clinical development. 

The company is currently based in Welwyn Garden City but will be moving to a brand new research facility at Granta Park (Cambridge) in July 2018. Heptares has been operating for over ten years and has approximately 130 employees who will all be based in this new research facility. The size of the company ensures a transparent linkage between all activities from early discovery through to clinical development. 

We are currently seeking a highly motivated and skilled computational chemist to join the computational chemistry team.

Our preferred candidate will have the following profile:
Ph.D. in computational chemistry, cheminformatics or a related discipline.
Skilled in mining, integrating and visualizing chemical and biological data. Experience in maintaining databases of chemical and pharmacological information and developing computational tools and workflows to support drug discovery activities.
Proficiency in the integration and application of cheminformatics tools in computer-aided drug discovery. Experience in the application of computational chemistry approaches to guide GPCR medicinal chemistry, structural biology and molecular pharmacology is desirable.
Experience of working with medicinal chemistry and pharmacology data and a good understanding of medicinal organic chemistry, pharmacokinetics and metabolism in the context of drug discovery. 
Strong, written, oral communication and influencing skills.
Self-starter with a high level of independence but enjoys and is effective at being a team player and has a positive can-do creative attitude.


The computational chemist will work with our chemistry, pharmacology, and structural biology teams, and,
Perform and facilitate data administration and curation of Heptares’ Databases, and develop and deploy customized workflow solutions to exploit the data for drug discovery applications.
Develop and apply data mining and cheminformatics tools and workflows to extract, integrate, and visualize complex chemical, structural, pharmacological, DMPK, toxicological and translational data within the context of drug discovery and development.
Develop and optimise flexible computational tools and approaches to support and guide experimental GPCR drug discovery efforts.
Contribute to drug discovery projects by enabling data-driven drug design and candidate selection through the application of cheminformatics and computational chemistry approaches.
Applicants must be able to demonstrate proof of the right to work in the United Kingdom.
We offer a competitive salary and benefits package commensurate with qualifications and experience.
Heptares is an equal opportunities employer.


Applications should include a covering letter, providing a short description of the background to their interest in the role, with curriculum vitae including the names and contact details for two referees.

Please send your application in pdf format, to hr@heptares.com quoting reference number 2018/1CC

The closing date for applications is 15 March 2018. 

Strictly no agencies.