Flexibility Drives Information Flow in Proteins: Fluctuation Potential Gradients Dictate Directional Entropy Transfer
Allosteric communication in biomacromolecules is fundamentally governed by thermal fluctuation gradients, yet standard Gaussian Network Models (GNMs) treat atomic contacts as uniform, binary couplings without differentiating core constraints from solvent-exposed surface flexibility. Here, we present an analytical matrix framework that incorporates continuous distance-dependent weighting into the…
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