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arxiv: cond-mat/9905106 · v1 · submitted 1999-05-07 · ❄️ cond-mat.dis-nn · cond-mat.soft· q-bio

Random walks in the space of conformations of toy proteins

classification ❄️ cond-mat.dis-nn cond-mat.softq-bio
keywords randomspacecarloconformationsgeometrymontenativepolymer
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Monte Carlo dynamics of the lattice 48 monomers toy protein is interpreted as a random walk in an abstract (discrete) space of conformations. To test the geometry of this space, we examine the return probability $P(T)$, which is the probability to find the polymer in the native state after $T$ Monte Carlo steps, provided that it starts from the native state at the initial moment. Comparing computational data with the theoretical expressions for $P(T)$ for random walks in a variety of different spaces, we show that conformational spaces of polymer loops may have non-trivial dimensions and exhibit negative curvature characteristic of Lobachevskii (hyperbolic) geometry.

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