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Senior Computational Chemist, AstraZeneca

Full details can be found at this link

As a Senior Computational Chemist you will work collaboratively with medicinal chemists and multidisciplinary project teams to design compounds with improved potency, selectivity, functional activity and/or ADMET properties. By working simultaneously across multiple projects (2-3), in all discovery phases, you will efficiently and pro-actively apply a full-range of drug design and computational chemistry approaches to understand and solve complex problems, identify and drive ligand design strategies within a project and deliver results to timelines that impact the design of compounds for synthesis and testing.  You will contribute to target selection and the initiation of new drug discovery projects and provide input to open cross-project discussions. Dependent on experience you may function as the lead chemist of drug discovery projects.

Being an active and challenging member of drug design teams by both representing high standards of the computational chemistry discipline and using your broad insight into other disciplines will be a core part of this role.  Using your excellent knowledge of modern computational chemistry, methods and algorithms you will identify new opportunities to impact and influence outside of your own project responsibilities.  Additionally, you will be accountable for identifying areas of scientific improvement within computational sciences and their potential for application to projects within AstraZeneca.

You will publish original work and literature reviews in peer reviewed journals and conferences, maintaining an up to date awareness of recent literature and current developments within field of computational chemistry.

Closing date for applications – Feb 10th 2017

Computational Chemist –Domainex

Full details can be found at this link

Domainex has positions available for experienced computational chemists. Using our comprehensive suite of commercial and proprietary software tools, our CADD team deliver tailored solutions to the problems posed by our portfolio of client and in-house drug discovery projects.

Our ideal candidates will be qualified to PhD level and be highly-skilled in small-molecule and protein modelling, preferably conducted in an industrial environment. Expertise in use of the BIOVIA (formerly Accelrys) Discovery Studio™ modelling software, and CCDC’s docking program GOLD™ is highly desirable, as would be additional skills in homology modelling, virtual screening, physicochemical property prediction, and cheminformatics. Excellent organisation and planning skills are essential, to enable working across multiple projects. Communication of results both to assist project teams and directly to client will be required, and a successful candidate may also have the opportunity to take part in business development activities.

As a fast-growing technology company, Domainex offers a stimulating environment in which to work. Staffed with scientists with varying disciplines in a non-hierarchical, matrix structure within a single location, our drug-hunting teams are encouraged to be innovators, work collaboratively and above all to serve the needs of its customers.

If you would like to apply for one of these positions, please send your CV and a covering letter, quoting reference to

To find out more, please visit

Uploaded January 11th 2017

Cheminformatician  — InhibOx

Full details can be found at this LINK

A Cheminformatician or Scientific Programmer with strong and proven computing skills is required to develop new methods in ligand-based virtual screening and to maintain and expand InhibOx’s cheminformatics databases. The position will also involve working with application scientists to develop tools to support our drug discovery portfolio. The ideal candidate would have:

  •  An undergraduate (or postgraduate) degree in computer science or cheminformatics
  •  Experience in the holistic software development process; analysis, specification, coding, testing and documentation. As well as experience using tools which enhance developer productivity (e.g. source control)
  •  Working knowledge of at least some of the following programming languages/technologies: C++, Python, PHP, SQL, Bash, Linux
  •  System administration (e.g. installation of Linux systems, hardware procurement etc.)

Experience of one or more of the following is also desirable:

  •  Work with open source tools, e.g. RDKit and OpenBabel, and be able to modify these according to requirements
  •  Running computing intensive jobs on HPC environments, for example Oracle Grid Engine
  •  Cloud computing (e.g. AWS) for scientific applications
  •  Relational database administration using PostgreSQL

To apply, please send a CV and covering letter, quoting reference SP16-1, to:


Closing date: 23rd December 2016

Computational Chemist — Evotec

Full details can be found at this LINK


  • Work within a team of industry-seasoned molecule designers to deliver computational chemistry support to internal and external discovery programs
  • Work alongside colleagues in Discovery Sciences in an interdisciplinary environment and actively contribute to projects at all stages of the discovery and development process.

Ideal candidate profile:

  • First degree in Chemistry or a related subject
  • PhD or equivalent experience in Computational Chemistry or a related subject
  • Strong presentation and communication skills, and high standard of written work

Expertise & skills (but not limited to):

  • Experience of supporting computational chemistry activities in an industrial setting.
  • Experience of computational medicinal chemistry support
  • Knowledge of structure-based and ligand-based drug design
  • Techniques for virtual screening, cheminformatics, molecular simulation
  • Experience of machine learning and statistical modelling
  • Experience with quantum mechanics (QM) calculations
  • Experience of antibody modelling and ADC design
  • Knowledge of network modelling, pathway analysis, systems approaches
  • Scripting/programming skills (e.g. python, perl, java, C++ etc.)

If you are interested in this position, please visit Evotec’s Career Page at

Posted 8th November 2016




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