Computational Theoretical Chemist I
Tasks
- Co-author patents and research papers
- Collaborate with machine learning teams for drug discovery models
- Improve 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
- Provide computational chemistry insights for lead optimization
- Teach computational chemistry principles
- Update patents with animal model data
- Validate cellular hits in animal disease models
Perks/Benefits
Skills/Tech-stack
AWS | Bash Scripting | CRESSET | CREST | Charge distribution | Cheminformatics | Density Functional Theory | Dipole moments | Electrostatic potential | Electrostatics | Empirical methods | Energy simulations | Enhanced sampling | Explicit solvent | Force Fields | Free Energy Simulations | Free energy | Free energy perturbation | GROMACS | HPC clusters | Implicit solvent | MOE | Machine Learning | Metadynamics | Microsoft Azure | Molecular Dynamics | Molecular properties | Molecular properties analysis | 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 | Virtual Screening | Workflow automation | XTB
Education
Regions
Countries
States
Cities
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