Senior Digital Drug Hunter, Molecular Intelligence and Data

Orion Corporation; Espoo; Hybrid; EUR 110,000 - 160,000; Full time

Benefits offered by this job

Competitive salary

International relocation support

Hybrid work environment

Collaborative team culture

Job summary

Orion Pharma in Espoo, Finland (Hybrid) is seeking a Senior Digital Drug Hunter to advance molecular intelligence and data-driven drug discovery. You will shape MPO strategies at the interface of medicinal chemistry and computation, influencing molecular design decisions rather than just executing tasks.

You will collaborate with chemists and ML/AI experts, translating complex analyses into actionable guidance to move projects forward, with opportunities for international collaboration and

Qualifications

• Ph.D. in computational chemistry or related field.
• Several years of experience in computational drug discovery.
• Strong understanding of medicinal chemistry and MPO.
• Proven experience with structure- and ligand-based design.
• Hands-on experience with molecular modeling techniques.
• Ability to work with SAR and experimental data.
• Proficiency in Python and data analysis.

Responsibilities

• Shape MPO strategies across live drug discovery programs.
• Lead virtual screening and hypothesis-driven computational studies.
• Integrate structure-based, ligand-based, and data-driven methods to drive optimization.
• Critically assess model outputs and communicate uncertainties.
• Translate computational analyses into medicinal chemistry guidance.
• Advance integration of computational workflows into platforms (e.g., LiveDesign).
• Collaborate with cheminformatics, ML/AI, structural biology and physics teams.

Skills

Fluent English

Programming & data analysis

Proximity-inducing modalities

Education

Ph.D. in computational chemistry / medicinal chemistry / cheminformatics / structural biology

Tools

Python

RDKit

KNIME

Job description

Senior Digital Drug Hunter, Molecular Intelligence and Data

Espoo, Finland (Hybrid)

Job Description

Your role

Orion is seeking a highly motivated and scientifically driven Senior Digital Drug Hunter to join our Molecular Intelligence and Data unit. This is a hands-on, project-facing role for a proactive computational scientist who thrives on ownership, scientific debate, and real impact in small molecule drug discovery.

In this position, you will shape multi parameter optimization (MPO) strategies across live drug discovery programs. Working at the interface of medicinal chemistry and computational science, you will ensure that computational insight is deeply embedded in project decision making—not as an afterthought, but as a driver of molecular design.

We are not looking for a tool operator, but for a scientist who can challenge project direction and influence molecular design decision.

As a Senior Digital Drug Hunter, you will act as a core project scientist, partnering closely with medicinal chemists while drawing on the broad expertise of the Molecular Intelligence and Data unit.

Your role goes beyond service delivery as you will proactively steer molecular design, question assumptions, and ensure computational methods are applied where they make a measurable difference.

You will collaborate with experts across cheminformatics, ML/AI, structural biology, and physics-based modeling, translating scientific questions into actionable computational strategies that move projects forward.

At the heart of discovery projects, you will:

• Shape molecular design and structural hypotheses in close partnership with medicinal chemists, balancing complex multi parameter optimization (MPO) trade offs to guide compound evolution
• Design and lead virtual screening and hypothesis driven computational studies to identify, prioritize, and de risk novel chemical matter
• Apply and integrate a broad spectrum of computational approaches - structure based, ligand based, and data driven to actively steer compound optimization across diverse target classes and modalities
• Identify, evaluate, and introduce novel computational methods into project workflows where they deliver clear scientific or strategic advantag
• Critically assess predictive and generative model outputs, clearly communicating uncertainties, limitations, and decision relevant insights to project teams
• Translate complex computational analyses into actionable medicinal chemistry guidance, directly influencing design decisions and prioritization
• Partner with domain experts to ensure advanced methodologies (e.g. free energy calculations, ML/AI models, structural analysis) are robustly applied, interpreted, and trusted in decision making
• Drive the integration of computational models and workflows into platforms such as LiveDesign, maximizing accessibility, usability, and adoption across project teams
• Investigate bioactive conformations, binding hypotheses, and sources of uncertainty by integrating experimental data with advanced computational analysis

This is a full time position based in Espoo, Finland, offering close collaboration across our Finnish research hubs in Espoo and Turku, with occasional travel between sites.

What you can expect from us

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

• A collaborative and scientifically ambitious environment with highly experienced computational and medicinal chemistry experts
• The opportunity to work on challenging drug discovery problems across diverse modalities, including proximity-inducing approaches
• Access to modern computational infrastructure, data platforms, and expert support across multiple domains
• Competitive salary, comprehensive benefits, and support for international relocation

At Orion Pharma, your work impacts millions of lives around the world. With us, you get to work on challenges that matter and see the difference your work makes every day. We believe our people are the key to our success, which is why we invest in your continuous learning.

Our innovative products are world-class, and we take sustainability and ethics seriously. Rooted in our Nordic heritage, we value teamwork, low hierarchies, and a culture where every voice is heard.

We are builders of well-being and offer jobs with a clear purpose: helping people live their lives to the fullest.

Please visit our website to find further information about our values and Orion as an employer: Working with us

What are we looking for?

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

• Ph.D. in computational chemistry, medicinal chemistry, cheminformatics, structural biology, or a related field
• Several years of relevant experience in computational drug discovery, preferably in an industrial setting
• Strong understanding of medicinal chemistry and multi-parameter optimization (MPO)
• Proven experience in applying structure-based and ligand-based design approaches in real project settings
• Hands-on experience with molecular modeling techniques such as docking, conformational analysis, and related methods
• Ability to work with and interpret SAR and experimental data in close collaboration with medicinal chemists
• Strong programming and data analysis skills (e.g. Python, RDKit, KNIME, or similar tools)
• Experience working with proximity-inducing small molecule modalities, such as PROTACs and molecular glue degraders
• Ability to critically assess computational results and communicate their relevance and limitations clearly
• Excellent collaboration and communication skills in multidisciplinary environments
• Fluent written and spoken English

If you have any questions related to the position, please contact Heikki Käsnänen, Head of Molecular Intelligence and Data, tel. [phone] on Wednesday 29 April between 14-15 EEST (Finnish time).

Approved medical examination which also includes drug testing is required prior to the employment. We will also carry out a security clearance prior to the employment for the selected person.

You new team

Orion Pharma’s 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 Cambridge and Nottingham in England and in Cambridge, MA, 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 is at the heart of Orion’s small molecule drug discovery engine, supporting early target validation activities and driving molecule optimization through to small molecule clinical candidate nomination. Within this organization, the Molecular Intelligence and Data unit delivers deep, decision shaping computational insight that directly influences how molecules are designed and advanced. We combine cheminformatics, molecular modeling, structural biology, physics based simulations, and cutting edge ML/AI to enable truly data driven drug design. Working in close, day to day partnership with medicinal chemistry, we ensure that computational science is not just supportive, but instrumental in driving molecular design choices and project progression.

About Us

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

We’re home to more than 4,000 Orionees around the world, and we’re proud to be known as a responsible employer and a great place to work. At Orion Pharma, people are truly valued and trusted, encouraged to grow, and supported by a culture where every voice is heard. We appreciate each other, strive for excellence, and build the future.

Together we develop, manufacture, and market human and veterinary pharmaceuticals and active pharmaceutical ingredients. Our extensive portfolio includes proprietary and generic medicines as well as consumer health products. The core therapy areas of our pharmaceutical R&D are oncology and pain. Proprietary products developed by Orion Pharma are used to treat cancer, neurological diseases, respiratory diseases, and more.

We offer careers with a clear purpose: empowering people to live their lives to the fullest.

• Locations Orionintie 1 A, Espoo, 02200, FI (Hybrid)