National AI Awards 2025Discover AI's trailblazers! Join us to celebrate innovation and nominate industry leaders.

Nominate & Attend

Molecular Modeller

Astex Pharmaceuticals
Cambridge
1 month ago
Create job alert

Join to apply for theMolecular Modellerrole atAstex Pharmaceuticals

Join to apply for theMolecular Modellerrole atAstex Pharmaceuticals

Get AI-powered advice on this job and more exclusive features.

Astex Pharmaceuticals is a world leader in innovative drug discovery and development. The company has successfully applied its proprietary Fragment-Based Drug Discovery platform to generate multiple new drug candidates that are progressing in clinical development. Successful collaborations have led to three launched oncology drugs (Kisqali partnered with Novartis, Balversa partnered with Janssen and Truqap partnered with AstraZeneca). Astex continues to grow and focuses on Neurological Disorders and Oncology.

We currently have an opportunity within our Computer-Aided Drug Design (CADD) group in Cambridge, UK for a dynamic, passionate molecular modeller, with a proven record of performing high caliber science.

The Role

The successful candidate will be applying cutting edge structure-based design methods and state of the art cheminformatics tools to assist our drug discovery programs. The role offers the opportunity to work in a unique structure-rich environment, with access to over 19,000 proprietary protein–ligand X-ray and Cryo-EM structures and associated data, and to collaborate closely with biologists, structural biologists, and medicinal chemists. There will also be opportunities to collaborate with our in-house software development team to expand and enhance our proprietary modelling tools.

  • Drive structure-based drug design activities from hit identification through to lead optimization, ensuring alignment with project schedules.
  • Interpret crystallographic and cryo-EM data and support structure determination.
  • Analyze protein-ligand structures and guide medicinal chemistry through binding mode hypotheses, SAR interpretation, and design of novel analogs.
  • Apply cutting-edge molecular modelling approaches including docking, molecular dynamics, QM, free energy calculations, and property optimizations.
  • Apply AI generative models and machine learning methodologies to design and optimize new molecules.
  • Communicate findings in team and project meetings
  • PhD (or equivalent experience) in Computational Chemistry, Medicinal Chemistry, Structural Biology, or related discipline.
  • Strong understanding of drug discovery and SBDD.
  • Experience with molecular modelling software (e.g. Schrödinger, MOE, OpenEye, Cresset, or similar).
  • Familiarity with protein-ligand interactions, structural interpretation, and conformational analysis.
  • Strong understanding of physics-based methods and their application to drug discovery.
  • Experience integrating modelling with medicinal chemistry decision-making.
  • Excellent communication and collaboration skills in a multidisciplinary environment.
  • Programming or scripting skills (e.g. Python, R, or Bash) for workflow automation or data analysis.
  • Experience with simulation-based methods and machine learning approaches.
  • Familiarity with fragment-based drug discovery (FBDD).
  • Experience of working in drug discovery teams

Why Astex

We offer excellent training and career development opportunities as well as highly competitive salary and benefits package including hybrid working options to promote a flexible and inclusive work environment.

At Astex we embrace diversity and equality of opportunity. We are committed to building an inclusive and diverse Company representing all backgrounds, harnessing industry-leading scientific innovation and behaviours.

Astex is situated 2.5 miles from Cambridge City centre on the Cambridge Science Park. The Park has onsite sports facilities and excellent transport links to London.

More information

For information on Astex Pharmaceuticals please visit:www.astx.com

For information on Otsuka Pharmaceuticals please visit:www.otsuka.co.jp

Seniority level

  • Seniority levelMid-Senior level

Employment type

  • Employment typeFull-time

Job function

  • Job functionDesign, Art/Creative, and Information Technology

Referrals increase your chances of interviewing at Astex Pharmaceuticals by 2x

Get notified about new Modeler jobs inCambridge, England, United Kingdom.

Cambridge, England, United Kingdom 3 hours ago

Stevenage, England, United Kingdom 2 days ago

Croydon, England, United Kingdom 3 days ago

Newmarket, England, United Kingdom 3 days ago

Wastewater Modellers | Expression of Interest

Cambridge, England, United Kingdom 1 week ago

Trainee Sample Maker/Structural Designer

Bishop's Stortford, England, United Kingdom 1 month ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 1 year ago

Cambridge, England, United Kingdom 1 week ago

Croydon, England, United Kingdom 4 days ago

Baldock, England, United Kingdom 3 months ago

Job Runner - Architect / Architectural Technologist

Cambridge, England, United Kingdom 1 day ago

Bishop's Stortford, England, United Kingdom 3 days ago

Croydon, England, United Kingdom 4 days ago

Graduate Landscape Architect - Multiple Locations

Cambridge, England, United Kingdom 4 days ago

Cambridge, England, United Kingdom 2 hours ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 6 days ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 2 weeks ago

Principal Integrated Catchment Water Quality Modeller

Cambridge, England, United Kingdom 2 weeks ago

Cambridgeshire, England, United Kingdom 3 weeks ago

Stevenage, England, United Kingdom 3 days ago

Ickleton, England, United Kingdom 6 days ago

Mid-Weight / Senior POS or Packaging Structural Designer

Bishop's Stortford, England, United Kingdom 6 months ago

Cambridge, England, United Kingdom 4 days ago

Cambridge, England, United Kingdom 2 days ago

Cambridge, England, United Kingdom 1 week ago

We’re unlocking community knowledge in a new way. Experts add insights directly into each article, started with the help of AI.


#J-18808-Ljbffr

Related Jobs

View all jobs

Post-Doctoral Research Associate

25.05.02 Senior Scientist, Free Energy Calculations, Orion Pharma, Cambridge, UK

Bioinformatics Developer

Associate Professor in Molecular &/or Cellular Cardiac Function

Research Associate in Molecular and Functional Genomics

Professor in Molecular Exercise Physiology - Sport, Exercise and Rehabilitation Sciences - 106040

National AI Awards 2025

Subscribe to Future Tech Insights for the latest jobs & insights, direct to your inbox.

By subscribing, you agree to our privacy policy and terms of service.

Industry Insights

Discover insightful articles, industry insights, expert tips, and curated resources.

10 Biotechnology Recruitment Agencies in the UK You Should Know (2025 Job‑Seeker Guide)

The UK’s biotech boom—fueled by the £650 million Life Sciences Vision Fund and rapid mRNA, cell & gene‑therapy adoption—continues to outpace talent supply. Lightcast reported +45 % year‑on‑year growth in UK adverts mentioning “CRISPR”, “GMP bioprocess” or “cell therapy” during Q1 2025. Yet only about 25,000 specialised biotech professionals work nationwide, while monthly live vacancies average 1,800–2,100. All data verified 22 July 2025; re‑audit quarterly for freshness.. Specialist recruiters remain critical for tapping stealth roles, benchmarking salaries and streamlining the lab‑tour interview gauntlet. We reviewed 60 + consultancies and kept only agencies with: A registered UK head office (Companies House). A dedicated Biotechnology / Life‑Sciences practice. At least five UK biotech roles advertised between March and June 2025. Below you’ll find a hiring‑landscape snapshot, a quick directory of 10 vetted agencies, salary medians, in‑demand skills, interview expectations, FAQs and next steps—mirroring our AI and quantum guides.

Biotech Jobs Skills Radar 2026: Emerging Tools, Platforms & Technologies to Learn Now

The UK biotechnology sector is entering a new era—fuelled by AI integration, synthetic biology, and next-gen diagnostics. With biotech investment breaking records and a surge in demand for skilled talent across R&D, biomanufacturing, and regulatory fields, it’s vital for job seekers to future-proof their skillsets. Welcome to the Biotech Jobs Skills Radar 2026—a forward-looking guide to the emerging tools, lab techniques, platforms, and digital skills driving hiring in the UK's biotechnology industry. This radar is updated annually to help students, researchers, and transitioning professionals stay competitive in a fast-changing landscape.

How to Find Hidden Biotechnology Jobs in the UK Using Professional Bodies like the RSB, BIA, BioIndustry Association & More

The UK biotechnology sector is thriving. From cutting-edge gene therapies and synthetic biology to bio-manufacturing and agricultural innovation, the demand for skilled biotech professionals continues to grow. Yet many of the best opportunities—particularly in early-stage companies, startups, and research-intensive roles—are never listed on conventional job boards. So where do these hidden biotech jobs live? Often, they’re shared through word-of-mouth, member networks, or professional communities—especially those associated with leading biotech institutions and associations. Whether you’re a graduate looking for your first role, a research scientist ready to move into industry, or a regulatory professional seeking your next challenge, joining the right professional bodies can give you exclusive access to job leads, collaborations, and insider opportunities. In this article, we’ll show you how to strategically leverage UK-based organisations such as the Royal Society of Biology (RSB), BioIndustry Association (BIA), and Biotech and Life Sciences Networks to uncover hidden jobs and build a long-term, sustainable career in biotechnology.