Chemiker Pharmazeutische Forschung (m/w/d)
Core
Computational chemist performing virtual screening, QSAR modeling, and molecular dynamics simulations to support drug discovery and lead optimization in pharma.
Role type
Senior IC computational chemist (computational chemistry/chemoinformatics)
Builds
Production ML models | product features
Domain
Life Sciences / Pharma / Computational Chemistry
Deliverable
production ML models
Required skills
Computational chemistry, Chemoinformatics, QSAR modeling, Machine learning, Virtual screening, Molecular dynamics simulations, Free Energy Perturbation (FEP), LiveDesign, Molecular modeling
Preferred skills
Rational molecular design, Critical evaluation of simulation results, Cross-functional collaboration
Technologies
LiveDesign, MD simulations, FEP calculations
Responsibilities
Analyze structure-activity relationships (SAR) to evaluate chemical compounds; Develop and evaluate predictive models based on QSAR and machine learning; Conduct virtual screenings to prioritize compounds; Perform molecular modeling and molecular dynamics simulations; Propose new molecular structures and optimize existing compounds; Set up and maintain LiveDesign projects; Document and present results to lab and development teams; Coordinate with research teams on project goals.