Computational Theoretical Chemist II
Tasks
- Coauthor provisional patents and peer reviewed research
- Improve computational hit to experimental hit process
- Integrate AI ML models into drug discovery operations
- Nominate lead candidate for IND enabling studies
- Own computational chemistry programs across drug discovery
- Present research at computational modeling conferences
- Progress virtual hit to biochemical or cellular hit
- Provide computational chemistry insights for AI ML model development
- Provide computational chemistry insights for hit to lead
- Teach computational chemistry principles to cross disciplinary teams
- Update provisional patents with animal model data
- Validate cellular hit in animal disease model
Perks/Benefits
Skills/Tech-stack
AWS | Azure | Bash | CRESSET | CREST | Charge distribution | Cheminformatics | Density Functional Theory | Electrostatic potential | Empirical methods | Energy simulations | Explicit solvent | Force Fields | Free Energy Simulations | Free energy | Free energy perturbation | GROMACS | HPC clusters | Implicit solvent | MOE | Machine Learning | Metadynamics | Molecular Dynamics | Molecular properties | OpenMM | Orca | Potential energy surfaces | Python | QM/MM | Quantum Chemistry | RDKit | Replica exchange molecular dynamics | Schrödinger | Semi-empirical methods | Solvation free energy | Solvation models | Thermodynamic integration | Umbrella sampling | Vibrational frequencies | Workflow automation | XTB
Education
Roles
Regions
Countries
States
Cities
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