Computational Theoretical Chemist I
Tasks
- Co author patents and peer reviewed research papers
- Collaborate with ML engineering for drug discovery model development and integration
- Improve computational hit to experimental hit to lead process
- Nominate lead candidate for IND enabling studies
- Own computational theoretical chemistry programs
- Present research at computational modeling conferences
- Provide computational chemistry insights for hit to lead and lead optimization
- Teach computational chemistry principles to cross disciplinary teams
- Update patents with animal model data
- Validate cellular hits in animal disease models
Perks/Benefits
Skills/Tech-stack
AWS | Bash | CRESSET | CREST | Charge distribution | Cheminformatics | Cloud Computing | Conformational sampling | Density Functional Theory | Dipole moment | Electrostatic potential | Empirical methods | Energy calculations | Enhanced sampling | Explicit solvent | FEP | Force Fields | Free Energy Calculations | Free energy | GROMACS | HPC clusters | Implicit solvent | Machine Learning | Metadynamics | Microsoft Azure | Molecular Dynamics | Molecular Operating Environment | Molecular properties | Molecular properties analysis | Molecular property prediction | OpenMM | Operating environment | Orca | Potential energy surfaces | Property Prediction | 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 | Virtual Screening | XTB
Education
Regions
Countries
States
Cities
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