Computational Chemist

Protai · ramatgan

Description 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. Advantages Experience with quantum mechanics (QM) calculations, advanced molecular simulations tech and Free energy perturbations (FEP).

Apply »