Computational Chemist
Tasks
- Apply compound filtering and selection workflows
- Configure screening workflows and coordinate execution
- Identify structural methodological and operational improvements
- Maintain operational documentation and backup processes
- Own end to end virtual screening execution and monitoring
- Run and interpret screenability assessments
- Select and prepare protein structures
- Standardize document and automate run processes
- Troubleshoot underperforming runs
Perks/Benefits
- N/A
Skills/Tech-stack
ADMET | Chemical Data | Chemical data handling | Cheminformatics | Command Line | Command-line Tools | Compound registration | Computational Chemistry | Computer-aided drug design | Data handling | Developability | Drug Likeness | Drug design | Hit Triage | Linux | Molecular Docking | Molecular Scoring | Protein Structure Analysis | Protein Structure Quality Assessment | Protein structure | Python | Quality Assessment | RDKit | SMILES | Structure analysis | Structure prediction | Virtual Screening | Workflow automation
Education
N/A
Roles
Related jobs
-
Computational Drug Designer, London, Lausanne GBP 71K-88KADMET | Cheminformatics | Cheminformatics Pipelines | DMPK | Drug MetabolismContinuous professional development | Hybrid office attendance 3 days per week | Hybrid working | Inclusion culture | Mentoring supportMid-level Full TimeLausanne; London R10d ago
-
Computational Quantum Chemist GBP 45K-60KC plus plus | Computing Algorithms | Configuration Interaction | Coupled-cluster | Density Functional TheoryMid-level Full TimeDaresbury, England, United Kingdom; UK - … R1mo ago