Peter Rose, Ph.D.


  • Director -  Structural Bioinformatics Laboratory
  • Lead -  Bioinformatics and Biomedical Applications, Data Science Hub


Dr. Peter Rose is the Director of the Structural Bioinformatics Laboratory at SDSC. Since joining SDSC in 2007, his group built the RCSB Protein Data Bank to its current strength as a key resource in biology and drug discovery. He currently works on NIH funded Big Data to Knowledge (BD2K) projects to enable large-scale mining of 3D macromolecular structures. Prior to joining UCSD, he held research and management positions at Pfizer La Jolla, formerly Agouron Pharmaceuticals, where he was instrumental in the establishment of the structure-based drug design platform. His research interests include structural bioinformatics, structure-based drug design, 3D visualization, and application of big data technologies and machine learning in bioinformatics and biomedicine.


  • Structural Bioinformatics
  • Structural Biology
  • Computational Biology
  • Computational Chemistry
  • Structure-based Drug Design
  • Distributed Computing
  • Big Data Analytics
  • Machine Learning
  • Scientific Software Development

Current Projects

  • MMTF-Spark:  A framework for large-scale distributed analysis of 3D macromolecular structures
  • MMTF-PySpark:  A framework for interactive datamining of 3D macromolecular structures
  • MMTF:  The Macromolecular Transmission Format
  • BioJava:  Open source framework for processing biological data