Principal Computational Chemist

Tasks

• Apply and validate generative AI algorithms
• Apply and validate physics based methods
• Collaborate with machine learning engineers medicinal chemists and physicists
• Design and optimize small molecules
• Ensure rigor reproducibility and scientific communication
• Evaluate compound progress from hit to preclinical
• Lead end to end design of small molecule therapeutics
• Mentor junior computational chemists
• Model ADME toxicity and selectivity
• Propose and implement new drug discovery approaches
• Provide feedback to improve computational platform

Perks/Benefits

• Flexible work arrangements
• Remote work up to two days per week
• Visa sponsorship

Skills/Tech-stack

ADMET | ADMET modeling | CCDC | Cheminformatics | Drug design | FEP | Generative AI | Homology Modeling | Ligand-based drug design | Linux | MM/GBSA | Molecular Docking | Molecular Dynamics | Multi-parameter optimization | OpenFE | OpenMM | Parameter optimization | Pharmacophore design | Protein homology modeling | Python | QSAR | RDKit | SAR Analysis | Structure-Based Drug Design | Structure-activity relationship | Virtual Screening