Job: Computational Chemist at Oxford Drug Design

Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 years, we are discovering new antibiotics to address the urgent threat of multi-drug resistant infections. Following success in obtaining funding from Innovate UK, the UK’s Innovation agency, we are expanding our computer-aided drug design (CADD) team.

Your Role:

  • Develop and validate novel CADD methodology in the areas of machine learning, statistical methods, chemogenomics and computational chemistry, working in a multidisciplinary team of internal and external colleagues, and be a key contributor to their success.
  • Use a diverse array of computational technology to devise hypotheses for structure-activity relationships and compounds to test these hypotheses, focused on our antibiotic drug discovery portfolio.
  • Maintain and build our internal cheminformatics databases and search technologies.
  • Maintain awareness of the latest technologies and developments in CADD and project areas.
  • Maintain an internal and external scientific presence by authoring significant scientific presentations and publications. 

Who you are:

You will hold a PhD (or equivalent experience) in computer science, machine learning, computational chemistry, or a related field. Industry experience would be an advantage. You are expected to have a high degree of independence and self-motivation. Ideally, your background would include some of the following:

  • Expertise in machine learning and other statistical approaches to data analysis and model generation.
  • Expertise in scientific computing, and good programming skills (Python, C++ and Java skills are particularly relevant).
  • Expertise in using cheminformatics techniques and relational databases.
  • Knowledge of computational chemistry and medicinal chemistry concepts is an advantage.
  • Very good written and verbal communication skills.

Please note that candidates must be eligible and able to work in the UK. Please include details of your eligibility with your application.

To apply, please send a CV and covering letter by 23 April-2019, quoting reference CC19-1, to: [email protected]

Oxford Drug Design Ltd., Oxford Centre for Innovation, New Road, Oxford, OX1 1BY, UK Telephone: +44 (0)1865 261469

Job: RSE position in Oxford Protein Informatics Group

Applications are invited for the post of Research Software Engineer within the Oxford Protein Informatics Group,  (OPIG).

OPIG has developed a large number of world leading computational tools primarily in immunoinformatics which have proved to be of high interest to several pharmaceutical companies. These tools are open source and freely available to all users, academic and commercial. This open strategy has meant that the user base for the tools is broad both within academia and industry. Several of these tools have been taken in-house by pharmaceutical companies. This role is part of the team that supports these companies with deployment, maintenance, future developments, and integration with their own in-house systems and requirements.

Alongside working with the pharmaceutical companies, the postholder will carry out research and develop novel methodologies in at least one of the areas of research in OPIG.

This exciting position is unique within the University and will provide an unrivalled and privileged opportunity to interact directly with a highly productive academic group and many pharmaceutical companies.

More details can be found here:

Please share with anyone who may be interested.  The closing date for applications is the 29th April, 2019.

Should you have any questions, please do not hesitate to contact:

Prof. Charlotte M. Deane,

Professor of Structural Bioinformatics & Head of Department,

Department of Statistics, University of Oxford, 24-29 St Giles’, Oxford, OX1 3LB, U.K.

Head of the Oxford Protein Informatics Group.


PA: [email protected] | 01865 281252

Job: XChem Software Engineer, Diamond Light Source

(From: Frank von Delft, DLS & SGC):

We are recruiting a software engineer (or scientific programmer, or geek-minded scientist, or scientifically-minded geek) to help us get a lot better at designing compounds from hits from crystallographic fragment screening.

The post is linked to the XChem facility at Diamond’s beamline I04-1, set up in partnership with the SGC-Oxford, which is now routinely hosting users every week, allowing them to find convincing fragment hits with a few days’ worth of experiments. In 2017, over 30 users measured over 35,000 crystals in academic and industrial XChem experiments.

To confront the next bottleneck, namely converting low potency fragments into high-potency compounds, we are setting up a suite of easily accessible computational tools that streamline the obvious yet surprisingly fiddly analyses by which to identify the most sensible follow-up compounds that are easy to make or procure.

The (initially) two-year post will, in a team of three and depending on interests, build infrastructure, harden existing algorithms or help evolve new ones, do web interface design, or any combination of the above.

The project is seeding a nascent effort, for now aspirationally code-named CCP-CMC (CompMedChem,, to bring the awesome collaborative ethos of CCP4 and other MX tools to computational medicinal chemistry.

Recruitment details are here:

Deadline is Monday, 29 January, 2018 (it’s wrong in the link).

Prof Frank von Delft

[email protected]

Principal Beamline Scientist: I04-1
Diamond Light Source
+44 1235 778997 (office: M,T,T)
+44 7471 026103 (mobile)

Principal Investigator: Protein Crystallography
Structural Genomics Consortium
Oxford University
+44 1865 617583 (office: W,F)