Job Description

Orion is seeking a technically skilled and scientifically curious Senior 
Scientist  Free Energy Calculations to join our Molecular Prospecting and 
Modeling Unit. This role is ideal for a physicochemically minded expert who 
wants to deepen and expand the application of absolute and relative binding 
free energy (ABFE/RBFE) simulations in drug discovery. If you are 
passionate about advancing physics-based modeling and enabling its 
widespread, reliable use in small molecule design, we want to hear from you.

We are on a bold digital transformation journey to redefine pharmaceutical 
R&D through the power of data, machine learning, and AI. As part of this 
mission, we are building a world-class digital R&D ecosystem that 
integrates scientific innovation with cutting-edge technology. We are 
pawing our way to the future by transforming how we discover and design 
small molecule therapeutics, integrating computational methods with domain 
expertise in medicinal chemistry, biology, and pharmacology. Join us at the 
forefront of this transformation and help accelerate the discovery and 
development of new therapies for patients around the world.


About your role

As Senior Scientist, you will be responsible for ensuring that 
state-of-the-art free energy methods are robustly integrated into Orions 
drug discovery toolbox. Your role combines scientific development and 
internal consulting: you will both innovate new modeling capabilities and 
act as an expert enabler for other computational scientists who directly 
support medicinal chemistry and project teams.

You will work closely with peers across molecular modeling, 
cheminformatics, and ML/AI, helping elevate how physics-based approaches 
are used for hit evaluation, hit-to-lead progression, and lead optimization. 
While your focus will be on binding free energy simulations, your scope can 
include other molecular dynamics and hybrid modeling approaches combining 
physics and machine learning.


Your key responsibilities

- Applying and refining ABFE and RBFE workflows to support compound 
optimization decisions in drug discovery.
- Evaluating and implementing existing software solutions (e.g., OpenMM, 
pmx, GROMACS, SOMD, Schrdinger FEP+) for robust and efficient simulation 
workflows.
- Monitoring methodological advances in free energy and hybrid physics/ML 
modeling approaches, and exploring their applicability.
- Collaborating with internal computational scientists to validate models 
and design production-ready simulation setups.
- Guiding the development of best practices and internal protocols for 
simulation-based predictions.
- Contributing to scientific publications and engaging with external 
collaborations where relevant.

This is a full-time position based in Cambridge, UK. In this position, you 
will report to the Head of Computational Design based in Espoo, Finland.


What we offer

At Orion, your work directly contributes to improving the lives of patients 
worldwide. We provide:

- A collaborative and scientifically ambitious environment with top-tier 
professionals.
- Opportunities to shape how simulation-based methods guide drug discovery 
at scale.
- Access to high-quality biological and chemical data and modern 
computational resources.
- Opportunities for publishing and participation in external scientific 
networks.
- Competitive salary, comprehensive health and welfare benefits, and 
support for international relocation.
- At Orion, your work creates true impact and well-being for our customers, 
patients and society at large.  Our culture of friendliness, respect, 
mutual appreciation and diversity creates a safe working environment where 
you can strive for excellence. We offer a wealth of career paths and 
development opportunities that support the development of innovative 
solutions and improving the quality of life.

Please visit our website to find further information about our values and 
Orion as an employer  https://www.orion.fi/en/careers/orion-as-an-employer/.


Our expectations

To be successful in this role, we expect you to have:

- Ph.D. in computational chemistry, physics, structural biology, or a 
related field.
- 5+ years of postdoctoral experience.
- Strong expertise in free energy simulations (ABFE/RBFE) and molecular 
dynamics.
- Hands-on experience with one or more simulation platforms (e.g., OpenMM, 
GROMACS, pmx, Schrdinger FEP+, SOMD).
- Understanding of statistical mechanics and force field fundamentals.
- Familiarity with hybrid approaches combining physics-based methods and 
ML/AI is a strong plus.
- Programming and scripting skills (e.g., Python, Bash) and ability to work 
with HPC/cloud environments.
- Strong communication and collaboration skills to effectively support 
internal modelers and align modeling strategies.
- Fluent written and spoken English.
- Experience in an industrial drug discovery setting is valued but not 
required.


How to apply and additional information

If this opportunity excites you, we encourage you to apply! Please submit 
your cover letter and CV by 25th May 2025, and tell us how you would 
advance the use of free energy simulations in modern drug discovery. You
can find the job among our open positions on our website 
at https://www.orionpharma.com/careers/ 



Unit description

Orions pharmaceutical innovations are created within its R&D organization. 
We employ around 400 top professionals in the field of drug discovery and 
development. We work globally: in Espoo and Turku in Finland, in Nottingham 
in England and in New York, NY, USA. Orion R&D and the Innovative Medicines 
business division are dedicated to making a transformation to become a 
global player in the pain and oncology therapy areas. 

Our Medicine Design Department plays a critical role in drug discovery, 
from target validation to clinical candidate nomination.

The Molecular Prospecting and Modeling Unit defines hit-finding strategies 
and supports all phases of early drug discovery. Our team combines 
structural biology, cheminformatics, molecular modeling, and AI-driven 
design to provide computational expertise across Orion R&D.


About Us

Orion is a globally operating Finnish pharmaceutical company  a builder of 
well-being for over a hundred years.


Orion provides meaningful work for more than 3 600 Orionees in Finland and 
abroad. Orion is known as a responsible and reliable employer where we 
value each other, strive for the best and build for tomorrow.
 

We develop, manufacture and market human and veterinary pharmaceuticals and 
active pharmaceutical ingredients. Orion has an extensive portfolio of 
proprietary and generic medicines and consumer health products. The core 
therapy areas of our pharmaceutical R&D are oncology and pain. Proprietary 
products developed by Orion are used to treat cancer, neurological diseases 
and respiratory diseases, among others.

Please submit your cover letter and CV by May 25th, 2025. You can find the 
job advertisement  among our open positions on our website at 
https://www.orionpharma.com/careers/

Please find the direct link to the job advertisement below, through which 
you can submit your application and CV.
https://fa-esaq-saasfaprod1.fa.ocs.oraclecloud.com/hcmUI/CandidateExperience/en/sites/OrionCareers/job/435/?location=United+Kingdom&locationId=300000000446159&locationLevel=country&mode=location