Computational Chemist

Competitive salary
07 Aug 2019
04 Sep 2019
Lucie McGrath
Contract Type
Full Time
We are currently looking for a Computational Chemist to join a leading drug discovery CRO company based in the Oxfordshire area. As the Computational Chemist you will be part of the research informatics team and be responsible for contributing towards the development of computer aided drug discovery projects.


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

1. As a Computational Chemist you will working closely with molecular designers, working on discovery programs both internal and external by offering support to the computational chemistry requirements.

2. You will use innovation and problem solving to contribute towards the CADD from development of algorithms and workflows.

3. As a Computational Chemist you will have to publicise your work in peer-reviewed journals and at conferences. You may also be expected to be involved with client interaction and business development activities.

4. You will have the ability to work collaboratively and effectively within an interdisciplinary environment at a fast-pace and with high energy.


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

1. Relevant PhD in Computational Chemistry, Cheminformatics or another related discipline, with industry experience preferable.

2. Proven industry experience in using molecular modelling software such as MOE, Cresset, GAMESS, OpenEye, and scripting skills using Python or Perl.

3. A working knowledge of ligand-based and structure based drug design and practical experience with complex data analysis and statistical modelling techniques.

Key Words: Computational chemistry, cheminformatics, computational design, drug discovery, molecular modelling, MOE, Cresset, OpenEye, Python, virtual screening, quantum mechanics, molecular dynamics, Statistics, CADD, research

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