Research

Molecules such as proteins, RNA, and DNA are the building blocks of all cells and organisms. We focus on computational methods for analysis and visualization of molecular components as seen in 3D maps from cryoEM and cryoET

• _{Segmentation (Segger)}
• _{Building and fitting atomic models into 3D maps (SegFit, SegMod, SWIM)}
• _{Assessment of maps and models (Q-scores)}
• _{Visualization of atomic structures and mechanisms (Biomovie)}

• Examples:
  • CryoEM Map of Mature P22 Bacteriophage
  • Estrogen receptor-coactivator complex on DNA
  • Heat Shock Protein hsp104 from Calcarisporiella thermophila
  • Type III-A CRISPR-Csm complex with target ssRNA
  • Type I-F CRISPR-Csy complex with its inhibitor AcrF9
  • The SARS-CoV-2 virus
  • Tubulin-based structures in Toxoplasma parasites
  • SARS-COV-2 spike protein and ACE2 receptor
  • Ebola virus nucleocapsid-like assemblies without RNA, with RNA
  • ATPase-powered substrate translocation by the Lon AAA+ protease
  • Apo and substrate-bound states of Tetrahymena ribozyme
  • Native (N) and misfolded (M) states of the Tetrahymena ribozyme

Publications