Jacek Wabik

Learn More
Most of the current docking procedures are focused on fine conformational adjustments of assembled complexes and fail to reproduce large-scale protein motion. In this paper, we test a new modeling approach developed to address this problem. CABS-dock is a versatile and efficient tool for modeling the structure, dynamics and interactions of protein(More)
We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation(More)
Most of the current docking procedures are focused on fine conformational adjustment of assembled complexes and fail to reproduce large-scale motions. Our approach based on the coarse-grained modeling of flexible macromolecules ov ercomes t hese limitations. CA BSDock proc edure us ed in t his work employs c oarse-grained m odel CA BS – efficient and v(More)
  • 1