The Center for Computational Structural Biology (CCSB) currently comprises four highly synergistic and independently funded research laboratories focusing on a variety of aspect of modelling and simulating structural biology ranging from biomolecular visualization, computation and design, spanning from atomic structure and interactions to the mesoscale structure of living cells. It was created in 2018 as a successor of the Molecular Graphics Laboratory, founded by Arthur Olson in 1981. Over the years we have developed several freely-available software tools including AutoDock, Python Molecular Viewer, and CellPACK. Current applications include the design and virtual screening of covalent inhibitors of HIV-1 proteins, docking and binding energy prediction of small molecules and peptides to flexible biomolecular targets, and modeling of subcellular structures such as bacterial nucleoids and secretory vesicles.
Stefano Forli is developing new methods for computational drug design, discovery, and virtual screening, and applying them to systems of biomedical interest such as HIV-1 infection and cancer. (Forli Lab)
Michel F. Sanner
Michel Sanner develops interoperable software solutions for biomolecular visualization and modeling, including methods for docking of molecules to flexible targets and multiscale modeling of biomolecular systems.
News & Announcements
The Molecular Graphics Laboratory has now become the Center for Computational Structural Biology. Our new website is under construction, so you may run into deadends and broken connections. The legacy MGL site will be available during development, in case you can’t find something.