The folding of knotted proteins: insights from lattice simulations
作者： Patrícia F N Faísca , Rui D M Travasso , Tiago Charters , Ana Nunes , Marek Cieplak
DOI: 10.1088/1478-3975/7/1/016009
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摘要: We carry out systematic Monte Carlo simulations of Gō lattice proteins to investigate and compare the folding processes two model whose native structures differ from each other due presence a trefoil knot located near terminus one protein chains. show that time knotted fold is larger than unknotted this difference in particularly striking temperature region below optimal temperature. Both display similar transition temperatures, which indicative thermal stabilities. By using probability reaction coordinate as an estimator progression we have found formation mainly late event our shallow system.
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