Senior Scientist Computational Chemistry

argenx

Ghent, Belgium

About the role

Argenx is establishing a new department dedicated to small molecule and peptide drug discovery. We are seeking an experienced Computational Chemist (8+ years in biopharma) to lead computational approaches for small molecule drug discovery. This role combines structure-based drug design (SBDD) expertise with strategic vision for leveraging AI-driven models and external partnerships. You will set up the in silico design ecosystem (software implementation, selection of CRO’s or expert consultants) in order to enable data-driven optimization of drug candidates.

Key Responsibilities

Structure-Based Drug Design (SBDD)

Shorten DMTA cycles by in silico filtering of new design ideas. Collaborate with medicinal chemists to optimize potency and selectivity;
Set up a software ecosystem (in house or through collaboration) that enables you of interpreting structural biology data and allowing to dock and rank new molecules;
Stay abreast of cutting edge technologies like AlphaFold, OpenFold, Boltz or any emerging convolutional models for protein-ligand interaction insights;
Collaborate with structural biology group in Argenx to obtain an in silico design ecosystem fully integrated with ongoing efforts.

AI-Driven Predictive Modeling

Shorten DMTA cycles by implementing models (through collaboration, CRO, expert consultants) that aid obtaining a drug like molecule. Collaborate with both medicinal chemists and ADMEt/DMPK expert;
Identify and manage partnerships with leading AI/ML platform providers;
Leverage state-of-the-art models for potency, ADME/Tox prediction, and generative design;
Provide strategic input on realistic applications of AI in drug discovery.

Data Integration & Visualization

Aid in the aggregation and harmonization data from CROs and internal sources;
Leverage different data streams to obtain better predictive models.

Profile

PhD or equivalent in Computational Chemistry, Cheminformatics, Structural Biology, or related field;
8+ years of experience in computational chemistry within biopharma or biotech;
Proven expertise in SBDD, virtual screening, and molecular modeling;
Hands-on experience with AlphaFold or similar protein prediction tools;
Familiarity with AI/ML applications in drug discovery and ability to evaluate external platforms;
Strong understanding of medicinal chemistry principles and drug-likeness;
Experience managing CROs and external technology partnerships;
Ability to work independently and collaboratively within a team;
Excellent communication and interpersonal skills for effective collaboration;
Fluent in written and spoken English to ensure clear and effective information exchange;
Demonstrated ability to take initiative and address challenges proactively;
Dynamic and practical problem-solving approach with a focus on delivering tangible results.