Postdoc: AI for Protein Structure & Crystallography

Brookhaven National Laboratory

Upton (NY)

On-site

USD 71,900 - 119,000

Full time

14 days+

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Job summary

Brookhaven National Laboratory's NSLS-II seeks a Postdoctoral Research Associate for AI-driven Structure Analysis for Biological Discoveries, on-site in the Biological, Environmental and Planetary Science Division.

Advance structural biology by developing AI-driven methods for crystallographic data interpretation, enabling discoveries in protein function, ligand binding, and dynamics through scalable computational analysis.

Qualifications

Ph.D. in computer science, computational biology, physics, or related field.
Expertise in machine learning or AI.
Experience with molecular dynamics simulations and computational workflows.
Ability to work in teams; demonstrated publications in the field.

Responsibilities

Develop AI-driven workflows to improve models and maps for ligand placement.
Develop AI/ML methods for automated interpretation of crystallography data for ligand placement.
Build and curate training datasets linking electron density maps and structural models.
Design and evaluate AI models for 3D structural data.
Develop workflows for time-resolved crystallography data processing.
Integrate molecular dynamics with AI/ML methods.
Benchmark protein foundation model performance and integrate with analysis pipelines.
Collaborate with domain scientists, beamline scientists, and computational scientists.
Document methods and results.