Senior or Principal Scientist – 3D Molecular Modelling

Company: Optibrium
Apply for the Senior or Principal Scientist – 3D Molecular Modelling
Location: Cambridge
Job Description:

Senior or Principal Scientist – 3D Molecular Modelling

Founded in 2009 and headquartered in Cambridge, UK, Optibrium develops software and novel technologies to improve the efficiency and productivity of drug discovery. Our solutions support industry-leading research for a global customer base, including top ten pharma and innovative biotech companies.

Optibrium software solutions include:

  • StarDrop ™ – A complete package of fully integrated software for multi-objective small molecule design, optimisation, and data analysis;
  • Cerella ™ – A unique platform for the imputation of drug discovery data, revealing insights into the best compounds and most valuable experiments;
  • BioPharmics ™ – A fast, robust, and accurate 3D ligand- and structure-based design platform that scales from small molecules to large macrocycles.

With a strong track record of translating peer‑reviewed science into successful products and a growing blue‑chip customer base for BioPharmics, we are recruiting a Senior or Principal Scientist – 3D Molecular Modelling to help customers achieve challenging drug discovery objectives and maximise the value of our software.

About the Role

As a Senior or Principal Scientist you will:

  • Apply 3D structure‑based and ligand‑based design approaches to lead discovery and optimisation
  • Support current and prospective customers in the effective use of BioPharmics, working with the commercial team to communicate its value clearly and scientifically
  • Use NMR and X‑ray crystallography data in combination with the BioPharmics modelling methods
  • Provide guidance on the development of the BioPharmics platform by identifying unmet customer needs and translating them into product and research opportunities
  • Represent Optibrium’s science and products at conferences, workshops, and customer meetings

About You

The ideal candidate will have the following experience:

  • PhD in computational chemistry, computer science, chemistry, biophysics, or a related discipline
  • Strong understanding of structure‑based and ligand‑based drug design, ideally including experience with macrocycles and peptides
  • Experience with molecular modelling and visualisation platforms, e.g., PyMOL and MOE
  • Experience with structural data (NMR and X‑ray crystallography) applied to molecular design problems
  • A track record of high‑quality peer‑reviewed publications and conference presentations
  • The ability to work effectively with customers, collaborators, and cross‑functional teams

What We Offer

We offer hybrid & flexible working, a competitive base salary, pension contribution, employee private medical and dental cover, life assurance, corporate gym discount and cycle to work scheme.

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Posted: May 27th, 2026