Charge Transport in a Protein-Ligand Complex: A Preliminary Quantum Statistical Model

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Authors: Róisín Braddell, Jone Uria–Albizuri, J.-B. Bru, Serafim Rodrigues
Cited by: 0
References: 53

Abstract

Experiments show that protein-ligand binding activates long-range charge transport with a nanosiemens conductance over nanometer scales in the linear response regime (cf. Ohm’s law superimposed with telegraph noise observed in 2019). Inspired by these observations, we investigate charge transport of a 1D-semiconductor at nanoscales, from first principles of quantum mechanics only. The charge carriers are fermionic (like electrons) and do not interact with each other, but can move (quasi-)freely in two interconnected 1D (nanometric) lattices, only one of which is conductive. Electric currents and their quantum fluctuations under the influence of numerous parameters such as voltage, temperature, length, etc. are computed and discussed, having in mind bioelectronics, in particular emergent laws in protein complexes.

Fields of Study & Subjects

Molecular Junctions and Nanostructures Nanopore and Nanochannel Transport Studies Ion channel regulation and function

Publication details

Journal / source
IEEE Transactions on Molecular Biological and Multi-Scale Communications
Volume
12
Pages
253–264
Publication date
1 January 2026