Computational Medicinal Chemist - Design Bioactive Compounds

Celtarys Research; Treviana; On-site; EUR 38,000 - 46,000; Full time

Job summary

Celtarys Research is seeking a PhD-level Computational Medicinal Chemist to guide design decisions for bioactive compounds in a Torres Quevedo grant project. You will work closely with medicinal chemistry and biology teams to translate ideas and data into actionable designs.

The role emphasizes programming workflows, cheminformatics and structure- and ligand-based methods in a collaborative biotech startup environment.

Qualifications

• PhD with research in computational medicinal chemistry and computer-aided drug design.
• Experience in cheminformatics and molecular modelling; programming skills to develop scientific workflows.
• Independent and collaborative approach; clear English communication.

Responsibilities

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

Skills

Cheminformatics

Molecular modelling

Computer-aided drug design

Programming for workflows

English communication

Education

PhD in computational medicinal chemistry or related field

Tools

Python

Molecular modelling software

Cheminformatics tools

Job description

Celtarys Research is seeking a PhD-level Computational Medicinal Chemist to guide design decisions for bioactive compounds in a Torres Quevedo grant project. You will work closely with medicinal chemistry and biology teams to translate ideas and data into actionable designs.

The role emphasizes programming workflows, cheminformatics and structure- and ligand-based methods in a collaborative biotech startup environment.