Abstract
We analyze the physical ideas used to analyze the computational Monte Carlo experiments on dynamics of protein folding and dynamics of other complex systems. We show that the concept of reaction coordinate can be formulated in a systematic way using the concept of commitor. This quantity can be usefully described by associating certain system of resistors with the space of conformations of the protein, in which case the flow of current and the distribution of potentials, governed by the Kirchoff rules, give full description of the topology of folding pathways.
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Grosberg, A. (2002). Bridging the Time Scale Gap: How Does Foldable Polymer Navigate Its Conformation Space?. In: Nielaba, P., Mareschal, M., Ciccotti, G. (eds) Bridging Time Scales: Molecular Simulations for the Next Decade. Lecture Notes in Physics, vol 605. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-45837-9_4
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DOI: https://doi.org/10.1007/3-540-45837-9_4
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