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Trevo
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Job Description
About the role
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.
What you'll do
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.
Nice to have
Experience with quantum mechanics (QM) calculations, advanced molecular simulations tech and Free energy perturbations (FEP).