ArticleProceedings of the National Academy of Sciences of the United States of America2024
Secondary structure determines electron transport in peptides.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Role of stereochemistry on electron transport in peptides.bioRxiv : the preprint server for biology · 2026Article
- Solvent Environment Influences Molecular Conformation and Electron Transport in Peptides.The journal of physical chemistry letters · 2026Article
- Single-Molecule Conductance of Non-Redox Proteins: Mechanisms, Measurements, and Applications.Biomolecules · 2026Review
- Single-Molecule Electron Transport in Peptoids.The journal of physical chemistry. B · 2026Article
- De novo generation and in silico screening of anti-diabetic peptide candidates via a deep learning-attention framework with physicochemical feature fusion.Scientific reports · 2026Article
- Aromatic Amide Foldamers Show Conformation-Dependent Electronic Properties.Chemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- Ion transport in helical-helical polypeptide polymerized ionic liquid block copolymers.Nature communications · 2025Article
- Novel HSA-PMEMA Nanomicelles Prepared via Site-Specific In Situ Polymerization-Induced Self-Assembly for Improved Intracellular Delivery of Paclitaxel.Pharmaceutics · 2025Article
- Identifying Quantum Interference Effects from Joint Conductance-Thermopower Statistics.Nano letters · 2024Article
- Secondary structure determines electron transport in peptides.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
Corrections and comments
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Authors and funding
9 authors.
Funding
Abstract
Proteins play a key role in biological electron transport, but the structure-function relationships governing the electronic properties of peptides are not fully understood. Despite recent progress, understanding the link between peptide conformational flexibility, hierarchical structures, and electron transport pathways has been challenging. Here, we use single-molecule experiments, molecular dynamics (MD) simulations, nonequilibrium Green's function-density functional theory (NEGF-DFT), and unsupervised machine learning to understand the role of secondary structure on electron transport in peptides. Our results reveal a two-state molecular conductance behavior for peptides across several different amino acid sequences. MD simulations and Gaussian mixture modeling are used to show that this two-state molecular conductance behavior arises due to the conformational flexibility of peptide backbones, with a high-conductance state arising due to a more defined secondary structure (beta turn or 3
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