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Head of Computational Chemistry, Domainex, Cambridge UK

Applications are invited from talented and experienced computational chemists to establish and lead Domainex’s computational chemistry department.

The candidate will be a leader in the computational field providing strategic direction to drug discovery projects. The remit of the role will be to expand the computational group, however, in the short term the role will require a degree of ‘hands-on’ relevant experience. Previous experience of management of teams is desirable.

Main Roles and Responsibilities

  • Work within multi-disciplinary project teams and provide insight into the future drug discovery project direction and work closely with medicinal chemists and biologist to solve key project challenges.
  • Working with several clients to agree and implement project strategy, with responsibility for the day-to-day reporting and communication of project progress to the clients.
  • Manage the relationship with existing computational consultants and ensure project delivery.
  • Build a computational chemistry team for the future, ensuring scientific excellence by mentoring and line-managing computational scientists with varying experience levels.
  • Ensure delivery of client projects and provision of expert computational chemistry support to the medicinal chemistry team (currently 40 chemists)
  • Work closely with protein and structural biology groups to assist with protein structure determination.
  • Liaise with the biology team to assess druggability of protein targets to facilitate target selection.
  • Develop innovative solutions and workflows for the computational and medicinal chemistry teams.
  • Implementation of machine learning and AI workflows into the computational and drug design process.
  • Support the business development team by providing technical input and securing new business for Domainex.
  • Play an active role as a member of the chemistry leadership team, using your knowledge to contribute to growing the department and influencing R&D and company strategy.

You will hold a PhD or a BSc/MSc degree in computational chemistry or natural sciences, supported by a proven track record and delivery of projects to assist in the drug discovery projects across hit identification, hit-to-lead and lead optimisation projects in large pharma, biotech or CRO sectors.  You will have an extensive knowledge of computational chemistry. A thorough understanding of drug discovery and biology concepts would be advantageous in order to make key decisions for multidisciplinary drug discovery project teams. The role will involve significant interaction with external customers and the successful candidate will have excellent communication and inter-personal skills along with the ability to clearly summarise and present scientific results and ideas.

If you would like to apply for this position, please send your CV and a covering letter, quoting reference HCC0322 to

Closing Date: 30th April 2022, Please Note: This job post will be closed as soon as sufficient applicants have been received.

Principal Scientist, Computational Chemistry, Turbine AI
Job location: Budapest Starting date Q2 2022
Status: Full-time Industry Biotechnology, Pharmaceutical
Contractual status: Employee Manage others: No
Level1 – Junior 2 – Experienced 3 – Senior / Expert 4 – Lead

Turbine AI is a foremost innovative start-up company deploying AI technologies to push the boundaries of next generation drug discovery. We welcome candidates who are willing to develop cutting-edge ideas for our newly formed in vitro laboratory thereby contributing to the diversity and excellence of our community.

About the role
You’ll join our Drug Discovery Team that is responsible to run Turbine’s drug discovery efforts. As a principal scientist in computational chemistry, you’ll be working with medicinal chemists and biologists to support the design of novel bioactive molecules and future potential drugs.

You’ll be actively supporting the target prioritization process with your structural biology skills in order to select the most promising targets for modulation.

Your tasks will also include using various computational tools for running virtual screening campaigns (both ligand-based and structure-based), compound property prediction, and assessing new cheminformatics software regarding their potential impact on drug discovery workflows at Turbine.

Key responsibilities
• Work effectively in a multidisciplinary team to evaluate and prioritize new disease targets using computational and in particular binding site detection methods (based on both experimental and predicted protein structural information)
• Apply ligand-based and structure-based drug design approaches at all stages of the drug discovery pipeline
• Develop computational methods and workflows to support drug discovery projects
• Interact proactively with the medicinal chemistry team as well as external organizations to drive compound design
• Evaluate new computational techniques for applicability in company processes
• Documentation of work in written form, and oral presentation of results

What we offer
• Cutting-edge in vitro target validation technology – with potential of publishing
• Unique in silico-in vitro bioplatform
• Place to develop and materialize own ideas, with creativity being the only limiting factor
• Dynamic interdisciplinary and international team of biologists, MDs, data scientists, developers and world class scientific advisory board
• Competitive salary (EUR/HUF) and support for professional development
• Relocation package if needed

About you
• Degree in a life science or computer science discipline (PhD preferred)
• Post-degree experience in a crossfunctional drug discovery environment (preferably in pharmaceutical industry) applying various methods of computeraided drug discovery to advance drug discovery projects
• Experience with state-of-the-art modelling techniques and software packages
• Broad understanding of chemical, biological and pharmacological data
• Ability to communicate compound design ideas and strategies fluently and clearly
• Able to work within a multi-disciplinary team to define a path forward
• Excellent communicator, especially when working with colleagues from other specialities
• Ability to work alone and mentor others, results-oriented thinking-
• A habit to create comprehensible but scientifically accurate documentations
• People management experience either in the academia or in the industry
• A strong external network of contacts across industry and academia to engage in ideas and knowledge share

If you are interested in this offer, please apply on our website:

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