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
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
Education
N/A
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