ArticleProteins2026
Generalizing the Gaussian Network Model: Spanning-Tree Thermodynamics Shows Entropy-Driven KRAS Activation.
Article in Proteins, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The GTPase KRAS executes a conformational switch between a GTP-bound active state and a GDP-bound inactive state, a process central to oncogenic signaling. However, the structural basis of this switching at the level of residue-contact organization remains incompletely characterized by traditional binary structural models. Here, we present a statistical-mechanical generalization of the Gaussian Network Model (GNM) by constructing spanning-tree partition functions for residue-contact graphs using the weighted Kirchhoff Laplacian in conjunction with the Matrix-Tree Theorem. Within this framework, the standard GNM is recovered in the high-temperature limit, whereas the present formulation enables a continuous Boltzmann-weighted ensemble analysis. We compute the network free energy
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