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