Computational Chemist

Protai is a drug discovery startup combining unique structural proteomics and GenAI to accelerate rational drug design. We are looking for a motivated and experienced computational chemist to join our team.

Responsibilities

• Support drug discovery projects with advanced data analysis and molecular modeling.
• Integrate structural and functional assay data into a comprehensive molecular modeling framework.
• Apply computational drug design methods including structure-based, ligand-based drug design techniques for virtual screening, and lead optimization.
• Develop machine learning, chemoinformatic, statistical modeling and generative design tools for drug discovery.

Requirements

• PhD in Computational Chemistry or a related field.
• Experience with commercial modeling software and workflow packages (e.g. Schrodinger, Gnina, Autodock, Rosetta).
• Experience in computational protein structure modeling, refinement, and validation.
• Expertise in drug design and a thorough understanding of the drug development process.
• Scripting/programming skills (e.g. Python, Perl, Java, C++ etc.).
• Ability to work collaboratively and effectively with multidisciplinary teams in a fast-paced, high-energy environment.