Third Microsymposium of the "International Scholarship Program for Graduate Studies in Faculty of Chemistry, University of Warsaw - From simple molecules to nanostructured and bioactive materials" October 6 - 8th, 2011, Palace in Łochów, Poland
Chronicle
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Friday Oct. 7th Prof. dr. hab. Paweł Krysiński Chairman of the morning session 
9:30 - 10:30 - Prof. Andrzej Koliński – invited lecture Coarse-grained protein modeling: dynamics, folding pathways and mechanical unfolding Coarse-grained protein modeling tool, CABS, is used in multiscale modeling of protein dynamics. It is demonstrated that the stochastic (Monte Carlo) dynamics, combined with all-atom refinement of the coarse-grained structures follows observed in experiments folding pathways of small proteins. The model is also used in model studies of chaperonin-assisted protein folding. It is shown that Iterative Annealing Mechanism of chaperonin action, where periodic distortion of the polypeptide chains by non-specific hydrophobic interactions can promote rapid folding and leads to a decrease in folding temperature. It is also demonstrated how chaperonin action prevents kinetically trapped conformations and modulates the observed folding mechanisms from nucleation-condensation to a more framework-like. Finally, the CABS model is used in simulations of mechanical unfolding, providing new ways for interpretation of Atomic Force Microscopy experiments. 
Discussion 
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