Computer simulations of membrane protein folding: structure and dynamics |
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Authors: | Chen C-M Chen C-C |
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Affiliation: | Physics Department, National Taiwan Normal University, Taipei, Republic of China. cchen@phy.ntnu.edu.tw |
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Abstract: | A lattice model of membrane proteins with a composite energy function is proposed to study their folding dynamics and native structures using Monte Carlo simulations. This model successfully predicts the seven helix bundle structure of sensory rhodopsin I by practicing a three-stage folding. Folding dynamics of a transmembrane segment into a helix is further investigated by varying the cooperativity in the formation of alpha helices for both random folding and assisted folding. The chain length dependence of the folding time of a hydrophobic segment to a helical state is studied for both free and anchored chains. An unusual length dependence in the folding time of anchored chains is observed. |
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