ArticleProceedings of the National Academy of Sciences of the United States of America2018
Conformations of peptoids in nanosheets result from the interplay of backbone energetics and intermolecular interactions.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Sequence-Derived and Molecular Descriptors for Interpretable Modeling of Molecular Systems: Insights from Peptide Hemolysis.Journal of chemical information and modeling · 2026Article
- Uprising Unconventional Nanobiomaterials: Peptoid Nanosheets as a Multi-Modular Platform for Advanced Biological Studies.Small (Weinheim an der Bergstrasse, Germany) · 2025Review
- Article
- Minimal Peptoid Dynamics Inform Self-Assembly Propensity.The journal of physical chemistry. B · 2023Article
- Cis-trans isomerization of peptoid residues in the collagen triple-helix.Nature communications · 2023Article
- Non-Canonical Amino Acids as Building Blocks for Peptidomimetics: Structure, Function, and Applications.Biomolecules · 2023Review
- Structural Elucidation of a Polypeptoid Chain in a Crystalline Lattice Reveals Key Morphology-Directing Role of the N-Terminus.ACS nano · 2023Article
- Applications of Discrete Synthetic Macromolecules in Life and Materials Science: Recent and Future Trends.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2021Review
- Hierarchical supramolecular assembly of a single peptoid polymer into a planar nanobrush with two distinct molecular packing motifs.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Cyclic Topology Enhancing Structural Ordering and Stability of Comb-Shaped Polypeptoid Thin Films against Melt-Induced Dewetting.Macromolecules · 2020Article
- The Diverse World of Foldamers: Endless Possibilities of Self-Assembly.Molecules (Basel, Switzerland) · 2020Review
- Atomic-level engineering and imaging of polypeptoid crystal lattices.Proceedings of the National Academy of Sciences of the United States of America · 2019Article
- Biomolecular Assemblies: Moving from Observation to Predictive Design.Chemical reviews · 2018Review
- A bio-inspired approach to ligand design: folding single-chain peptoids to chelate a multimetallic cluster.Chemical science · 2018Article
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8 authors.
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Abstract
The conformations adopted by the molecular constituents of a supramolecular assembly influence its large-scale order. At the same time, the interactions made in assemblies by molecules can influence their conformations. Here we study this interplay in extended flat nanosheets made from nonnatural sequence-specific peptoid polymers. Nanosheets exist because individual polymers can be linear and untwisted, by virtue of polymer backbone elements adopting alternating rotational states whose twists oppose and cancel. Using molecular dynamics and quantum mechanical simulations, together with experimental data, we explore the design space of flat nanostructures built from peptoids. We show that several sets of peptoid backbone conformations are consistent with their being linear, but the specific combination observed in experiment is determined by a combination of backbone energetics and the interactions made within the nanosheet. Our results provide a molecular model of the peptoid nanosheet consistent with all available experimental data and show that its structure results from a combination of intra- and intermolecular interactions.
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