Computational Medicinal Chemist powering Drug Design

Celtarys Research; Calpe; On-site; EUR 42,000 - 60,000; Full time

Job summary

Santiago de Compostela, Spain — Celtarys Research seeks a PhD computational medicinal chemist to turn molecular ideas and experimental data into informed compound design decisions. Work closely with medicinal chemistry and biology teams on a Torres Quevedo grant, helping shape drug discovery efforts.

The role involves designing bioactive compounds, building workflows, and applying structure- and ligand-based methods, with collaboration across international teams and potential grant alignment.

Qualifications

• PhD in computational medicinal chemistry and computer-aided drug design.
• Practical cheminformatics and molecular modelling experience, plus programming skills to develop scientific workflows.
• Clear communication in English; recent PhD graduates welcome.

Responsibilities

• Design and prioritize bioactive compounds using cheminformatics, molecular modelling and medicinal chemistry principles.
• Build reproducible workflows to explore synthetically accessible compounds and assess their properties and diversity.
• Apply ligand- and/or structure-based methods to guide compound selection.

Education

PhD in computational medicinal chemistry

Tools

Cheminformatics software

Molecular modelling software

Programming for workflows

Job description

Santiago de Compostela, Spain — Celtarys Research seeks a PhD computational medicinal chemist to turn molecular ideas and experimental data into informed compound design decisions. Work closely with medicinal chemistry and biology teams on a Torres Quevedo grant, helping shape drug discovery efforts.

The role involves designing bioactive compounds, building workflows, and applying structure- and ligand-based methods, with collaboration across international teams and potential grant alignment.