Protein modeling

Protein modeling

Modeling 3D structures and their interactions

Multiscale dynamics

Multiscale dynamics

Exploring the macromolecular biomachines dynamics
Hybrid methods

Hybrid methods

Bridging the resolution gap with hybrid methods
Drug Discovery

Drug Discovery

Computer-aided rational drug design and discovery

3rd party useful tools


  • Situs Very useful program package for the modeling of atomic resolution structures into low-resolution density map s e.g. from electron microscopy, tomography, or small angle X-ray scattering. It includes many useful tools
  • EMDBMacromolecule structure database includes EM-Search tool for Electron Microscopy Maps
  • EMAN It's a software for single particle analysis and electron micrograph analysis, but includes many usefull tools for docking such as PDB2MRC nad PROC3D.
  • em2em Program to convert images from/to formats used in the "electron microscopical community"
  • mapman Other 3D map conversion tool.