Using Monte Carlo simulations, we have studied the folding dynamics and thermodynamics of geometricall yconstrained lattice protein model chains. The constraints are realized by fixing one or both terminals of the chains. By comparing the results with that of the free-end chains, we find that the folding behaviours of the end-constralned chains are not completely similar to that of the free-end chains. Both kinds of constraints on the chain ends affect the folding dynamics of the chains: i.e., the folding rate, but not the thermodynamics. The thermodynamic behaviour of the one-end-fixed chains shows less difference from that of the free-end chains, while the thermodynamic behaviour of the two-end-fixed chains has obvious difference from that of the free-end chains. The origin of these differences comes from the differences of the ergodicitv of the chains in the conformational space.
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机译：Structure Determination and Mechanistic Insights of: I.Cyanobacteriochrome NpR6012g4 Light Sensor Protein in Phototaxis II.Retinal Degeneration 3 (RD3) Protein in Vision III.Ryanodine Receptor 2 (RyR2) Regulation by Calmodulin (CaM) in Cardiac Function =结构测定和机理洞悉：I.趋光性中的蓝细菌色素NpR6012g4光敏蛋白 II.视觉作用中的视网膜退化蛋白3 III.心脏功能中的钙调蛋白调控兰诺定受体2
