Computational Chemist - Generative Molecule & Protein Design
Tasks
- Analyze biopolymers and biomimetic polymers
- Analyze electronic structures
- Build virtual screening workflows
- Collaborate with experimental teams
- Conduct molecular docking simulations
- Design molecule derivatives
- Develop Computer Aided Synthesis Planning
- Develop generative AI pipelines
- Generate property guided molecules
- Lead de novo enzyme design
- Model reaction mechanisms
- Optimize multi ligand binding pathways
- Perform enzyme structural modeling
- Run ligand based virtual screening
- Run structure based virtual screening
- Simulate conformational changes
- Simulate molecular dynamics
- Use quantum chemistry tools
Perks/Benefits
Skills/Tech-stack
Amber | Binding thermodynamics | CASP | Cheminformatics | Computer Aided Synthesis Planning | De Novo | De novo protein design | Diffusion Models | Enzyme kinetics | GNN | GROMACS | Graph Neural Networks | Ligand Based Virtual Screening | Molecular Docking | Molecular Dynamics | Neural Networks | NumPy | OpenMM | Pandas | Protein Design | PyTorch | Python | Quantum Chemistry | RDKit | SciPy | Structure-Based Virtual Screening | Synthesis planning | Transformers | Transition State Theory | Virtual Screening
Education
Roles
Chemist | Computational Chemist | Computational Scientist | Scientist
Regions
Countries
States
Cities
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