Postdoctoral Researcher - Biomolecular AI & Protein-Ligand / Protein-membrane interaction modeling
Core
Design, execute, and analyze large-scale molecular dynamics (MD) simulations for protein-ligand and protein-membrane interactions, developing machine learning-ready datasets and reproducible computational workflows.
Role type
Postdoctoral Researcher (Biomolecular AI & Simulation)
Builds
Machine learning-ready datasets, reproducible computational workflows, and novel research methods
Domain
Computational Biology / Structural Biology / Biophysics
Deliverable
production ML models | research
Required skills
Molecular dynamics simulation setup, Free energy perturbation (FEP), alchemical free energy methods, Python software development, membrane modeling, large-scale dataset curation, scientific workflow automation
Preferred skills
Machine learning integration, force field selection, simulation parameterization, uncertainty assessment
Technologies
Python, distributed computing infrastructure
Responsibilities
Design and execute MD simulations (protein-ligand, protein-membrane, FEP), translate scientific questions into scalable data generation campaigns, build automation pipelines, validate findings against experimental data, lead research projects from hypothesis to outcome
Seniority
Postdoctoral, independent research lead