Lead Computational Chemist/Molecular Modeller

Pangea Bio discovers and develops transformative medicines to treat neurological disorders with large unmet medical need. We deploy AI to discover promising molecules from natural sources, such as plants, with evidence of safety and efficacy in humans based on traditional medicinal use. Nature offers great potential to uncover novel medicines: 84% of central nervous system small-molecule therapeutics are nature-inspired with less than 1% of nature's small molecules having been mapped and explored.

Our lead R&D program focuses on the TrkB receptor pathway, which drives neuronal survival, synaptic plasticity and reduces pathological protein aggregates. Our first candidate molecule will enter clinical trials in 2025.

Pangea Bio’s AI engine enables us to study the therapeutic potential of novel bioactive chemistry from the natural world at scale. In particular, our technology enables us to select therapeutically relevant species, decode their chemical composition, and predict potential activity in the human body, creating a scalable discovery engine to move from plant to hit compound. 

Our team has a successful track record of founding and building neuroscience and technology companies, including: COMPASS Pathways (Nasdaq: CMPS), GW Pharma (sale to Jazz), atai (Nasdaq: ATAI) and Healx.

Due to an expanding portfolio of internal discovery projects as well as those run in partnership with external companies we currently have a vacancy for a permanent and full-time Lead Computational Chemist/Molecular Modeller, based in Berlin or London with flexibility for hybrid working. The primary objective of the position is to execute, and in collaboration with the team, further develop our proprietary data analysis workflows to both discover novel active compounds as well as contribute to the advancement of our drug discovery portfolio to deliver novel clinical candidates to treat a range of diseases.

Responsibilities include (but are not limited to): 

• Understanding project requirements for the discovery of novel active ingredients in different therapy areas, with a focus on CNS and dermatology
• Develop and apply both ligand-based/ML models for compound prioritization and optimisation, as well as structure-based methods, with a focus on a holistic compound profile (including on-target and off-target effects, as well as DMPK and physchem properties etc.)
• Collaborate with the project team (both internal to the company and with external parties) to contribute to overall project goals, processes, and deliverables including delivery of new project starting points and clinical candidates
• Executing, and with the wider AI team developing further, computational workflows for compound selection according to use case definitions, based on both in-house and external datasets, models, and methods
• Document work in written form, and present project results both internally and externally
• Stay abreast with new technological advancements and analyze them for potential inclusion in our platform
• Dissemination of results, where appropriate, in the form of conference presentations and research articles

Required experience, skills

• Qualification: Advanced degree in the life sciences (PhD preferred), or computer science (or related) degree with in-depth understanding of chemical, biological, and pharmacological data
• Experience with and understanding of handling & analyzing chemical and biological data in academia or industry 
• Experience working in project teams to identify bioactive chemical matter with the desired properties (e.g. in a drug discovery or consumer goods context, or also agrochemistry  etc.)
• Experience in the development and application of both ligand-based/ML as well as structure-based models and computational approaches (homology modelling, docking, MD, etc.) in the context of a discovery project, across different stages, and from H2L to LO in particular
• Familiarity with Python, scikit-learn; chemical toolkits (e.g. RDKit); chemical workflow environments (particularly KNIME); machine learning on chemical and biological data; and chemical databases
• Strong oral & written communication skills in English

This is an opportunity to join a fast-paced entrepreneurial environment, where you will have a significant influence on company strategy and performance. The compensation package will include base salary, options and benefits.

How to apply

If interested, please apply via our Bamboo HR system. You must have the right to work either in Germany or the UK to apply for this role.

We aim to be an equal opportunities employer and we are determined to ensure that no applicant or employee receives less favorable treatment on the grounds of gender, age, disability, religion, belief, sexual orientation, marital status, or race, or is disadvantaged by conditions or requirements which cannot be shown to be justifiable.

Please note:  We are not accepting submissions from Recruitment Agencies for this position – any candidates submitted will not be accepted by or on behalf of Pangea Bio.