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Scientist - Ensemble Structural Informatics

100k – 180kEmeryville, CAData ScienceOnsite
Summary

Leads development of standards and validation frameworks for dynamic structural biology data, focusing on ensemble models from X-ray crystallography and cryo-EM. Collaborates with engineers to build deposition, search, and retrieval infrastructure for the diffUSE Project. Requires PhD in structural biology or related field.

About the role

Key Responsibilities

  • Oversee development of ensemble-aware validation frameworks that assess fit-to-data, physical realism, and uncertainty across diverse structural representations
  • Identify and prioritize technical challenges, from data representation to validation frameworks
  • Guide the creation of data deposition, search, and retrieval tools that allow users to interrogate and interpret structural heterogeneity at scale
  • Help coordinate with stakeholders to ensure interoperability and adoption
  • Work with software developers, data engineers, and user experience designers to translate scientific requirements into robust technical solutions

Required Skills and Qualifications

  • Ph.D. in structural biology, biophysics, computational biology, or related field
  • Demonstrated expertise in structural biology methods
  • Deep understanding of structural heterogeneity and dynamics in biomolecular systems
  • Experience with data standards, metadata frameworks, or scientific database development
  • Strong collaborative skills and ability to build consensus across diverse scientific communities

Preferred Skills and Experience

  • Experience with PDB, EMDB, BMRB, or other structural biology databases
  • Knowledge of validation methods for experimental and computational structural data
  • Familiarity with machine learning workflows and ML-ready data formats
  • Background in model uncertainty quantification or ensemble refinement methods
  • Understanding of software development practices and data engineering principles
  • Track record of working at the interface of methods development and infrastructure
Skills
X-ray crystallographycryo-EMPDBEMDBBMRBensemble modelsmultistate modelsvalidation metricsdata standardsmetadata frameworksmachine learninguncertainty quantificationensemble refinementsoftware developmentdata engineering
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