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

Nominate & Attend

Computational Chemist

Bicycle Therapeutics
Cambridge
10 months ago
Applications closed

Related Jobs

View all jobs

Senior Research Engineer – Machine Learning – Microsoft Research

Senior/Principal Machine Learning Scientist - Causality (London)

Director, Machine Learning & Data Science

Director Of Machine Learning

Postdoc / Scientific Software Developer

Software Engineer (C++/Python/Linux)

Job Description

We are looking for a computational chemist with experience in various techniques including virtual screening, molecular dynamics and applying machine learning (ML) models to analyse and interpret a broad spectrum of project data.

You will join a highly collaborative environment and work with multiple teams, both UK and US based, within our drug discovery pipeline. You will will be highly-motivated, self-starting and ambitious.

Key responsibilities

  • You will be involved in multiple projects drawn from a range of therapeutic areas and at different stages from initial hit identification to lead optimisation
  • Responsible for providing computational chemistry expertise to cross-functional teams to support drug discovery projects.
  • Contribute to the ongoing development of computational chemistry technologies for drug discovery within the company  
  • Developing and implementing tools and workflows to extract, integrate, analyse and visualise chemical, biophysical and ADMET data to support our various project decision making processes
  • Support and train members of the discovery teams in the use of analysis and visualisation tools and other aspects of computational chemistry


Qualifications

Essential:

  • Industry experience, or post doctorial experience in computational chemistry
  • Practical knowledge of conducting and analysis of molecular dynamics (MD) simulations using standard software such as OpenMM, AMBER and/or GROMACS, etc
  • Experience in QSAR virtual screening, ideally with peptides
  • Experience in writing analysis scripts and pipelines in common scripting languages, such as python, in Jupyter notebooks or as standalone scripts.
  • Experience in amino acid and peptide modelling
  • Practical knowledge of Free Energy Perturbation (FEP) calculations
  • Use of HPC

Desirable:

  • Knowledge of cheminformatics methods and databases
  • Practical knowledge of quantum mechanical calculations (QM)
  • Skills in machine learning, deep learning, statistical modelling and advanced data analytics
  • Experience in drug discovery organisation(s)



Additional Information

  • State-of-the-art campus environment with on campus restaurant and Montessori nursery
  • Flexible working environment
  • Competitive reward including annual company bonus 
  • Employee recognition schemes
  • 28 days annual leave in addition to bank holidays + option to buy up to 5 additional days annually
  • Employer contribution to pension (employee does not have to contribute) 
  • Life assurance cover 4x basic salary 
  • Private Medical Insurance, including optical and dental cover. 
  • Group income protection
  • Employee assistance program
  • Health Cash Plan
  • Access to company subsidized gym membership.
  • Eligibility for an option grant to subscribe to shares in Bicycle Therapeutics plc. 
  • Cycle to work scheme 

Bicycle Therapeutics is committed to building a diverse workforce that is representative of the communities we serve. We recognize that diverse and inclusive teams build a stronger and more innovative company. Therefore, all qualified applicants will be considered for employment, and we do not discriminate on the basis of race, religion, colour, gender, sexual orientation, age, disability status, marital status, or veteran status.

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.

AI Jobs Skills Radar 2026: Emerging Frameworks, Languages & Tools to Learn Now

As the UK’s AI sector accelerates towards a £1 trillion tech economy, the job landscape is rapidly evolving. Whether you’re an aspiring AI engineer, a machine learning specialist, or a data-driven software developer, staying ahead of the curve means more than just brushing up on Python. You’ll need to master a new generation of frameworks, languages, and tools shaping the future of artificial intelligence. Welcome to the AI Jobs Skills Radar 2026—your definitive guide to the emerging AI tech stack that employers will be looking for in the next 12–24 months. Updated annually for accuracy and relevance, this guide breaks down the top tools, frameworks, platforms, and programming languages powering the UK’s most in-demand AI careers.

How to Find Hidden AI Jobs in the UK Using Professional Bodies like BCS, IET & the Turing Society

When it comes to job hunting in artificial intelligence (AI), most candidates head straight to traditional job boards, LinkedIn, or recruitment agencies. But what if there was a better way to find roles that aren’t advertised publicly? What if you could access hidden job leads, gain inside knowledge, or get referred by people already in the field? That’s where professional bodies and specialist AI communities come in. In this article, we’ll explore how UK-based organisations like BCS (The Chartered Institute for IT), IET (The Institution of Engineering and Technology), and the Turing Society can help you uncover AI job opportunities you won’t find elsewhere. We'll show you how to strategically use their directories, special-interest groups (SIGs), and CPD (Continuing Professional Development) events to elevate your career and expand your AI job search in ways most job seekers overlook.

How to Get a Better AI Job After a Lay-Off or Redundancy

Being made redundant or laid off can feel like the rug has been pulled from under you. Whether part of a wider company restructuring, budget cuts, or market shifts in tech, many skilled professionals in the AI industry have recently found themselves unexpectedly jobless. But while redundancy brings immediate financial and emotional stress, it can also be a powerful catalyst for career growth. In the fast-evolving field of artificial intelligence, where new roles and specialisms emerge constantly, bouncing back stronger is not only possible—it’s likely. In this guide, we’ll walk you through a step-by-step action plan for turning redundancy into your next big opportunity. From managing the shock to targeting better AI jobs, updating your CV, and approaching recruiters the smart way, we’ll help you move from setback to comeback.