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   * FORLI
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HOMEmgl-admin2023-06-15T16:56:53-07:00


WELCOME

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 (MGL),
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.


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PROJECTS





DOCKING

OVERVIEW

AUTODOCK 

AUTODOCK FLEXIBLE RECEPTOR

AUTOGRIDFR GENERATE TARGET FILES

DOCKING PEPTIDES AUTODOCK CRANKPEP

AUTODOCK CRANKPEP

MESOSCALE

OVERVIEW

CELLPACK

MESOSCOPE

CELLPAINT

LATTICENUCLEOID

VISUALIZATION

OVERVIEW

MGLTOOLS

EPMV

TANGIBLE INTERFACES

APPLICATIONS

OVERVIEW

HIVE CENTER

OUTREACH AT PDB-101







PRINCIPAL INVESTIGATORS





ARTHUR J. OLSON, PROFESSOR

Arthur Olson has pioneered the use of computer graphics and simulation for the
visualization and study of biomolecular structure and function.(faculty website)

my youtube channel






STEFANO FORLI

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)






DAVID S. GOODSELL

David Goodsell divides his time between computational modeling of the mesoscale
structure of cells and science education at the RCSB Protein Data Bank. See more
at his personal website.






MICHEL F. SANNER

Michel Sanner has pioneered a strategy for developing interoperable software
components for the visualization and modelling of biomolecular interactions. He
is also actively pushing the envelop of automated docking with new software such
as AutoDockFR  and AutoDock CrankPep. (faculty website).







NEWS & ANNOUNCEMENTS





We presented the first structural model of an entire cell in the Journal of
Molecular Biology article: ‘Building Structural Models of a Whole Mycoplasma
Cell’, https://doi.org/10.1016/j.jmb.2021.167351. Click on the image for a
gallery of images of the model, free for use under a Creative Commons license!




FUNDING SUPPORT












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