Hierarchical materials from high information content macromolecular building blocks: construction, dynamic interventions, and prediction

L Shao, J Ma, JL Prelesnik, Y Zhou, M Nguyen… - Chemical …, 2022 - ACS Publications
Hierarchical materials that exhibit order over multiple length scales are ubiquitous in nature.
Because hierarchy gives rise to unique properties and functions, many have sought …

Peptide science: A “rule model” for new generations of peptidomimetics

HR Reese, CC Shanahan, C Proulx, S Menegatti - Acta biomaterialia, 2020 - Elsevier
Peptides have been heavily investigated for their biocompatible and bioactive properties.
Though a wide array of functionalities can be introduced by varying the amino acid …

Cis-trans isomerization of peptoid residues in the collagen triple-helix

R Qiu, X Li, K Huang, W Bai, D Zhou, G Li… - Nature …, 2023 - nature.com
Cis-peptide bonds are rare in proteins, and building blocks less favorable to the trans-
conformer have been considered destabilizing. Although proline tolerates the cis-conformer …

Hierarchical self-assembly pathways of peptoid helices and sheets

M Zhao, KJ Lachowski, S Zhang, S Alamdari… - …, 2022 - ACS Publications
Peptoids (N-substituted glycines) are a class of tailorable synthetic peptidomic polymers.
Amphiphilic diblock peptoids have been engineered to assemble 2D crystalline lattices with …

Rational Design of Novel Biomimetic Sequence-Defined Polymers for Mineralization Applications

K Torkelson, NY Naser, X Qi, Z Li, W Yang… - Chemistry of …, 2024 - ACS Publications
Silica biomineralization is a naturally occurring process, wherein organisms use proteins
and other biological structures to direct the formation of complex, hierarchical …

Structural elucidation of a polypeptoid chain in a crystalline lattice reveals key morphology-directing role of the N-terminus

T Yu, X Luo, D Prendergast, GL Butterfoss, B Rad… - ACS …, 2023 - ACS Publications
The ability to engineer synthetic polymers with the same structural precision as
biomacromolecules is crucial to enable the de novo design of robust nanomaterials with …

Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamics

D Wang, Y Wang, J Chang, L Zhang… - Nature Computational …, 2022 - nature.com
Enhanced sampling methods such as metadynamics and umbrella sampling have become
essential tools for exploring the configuration space of molecules and materials. At the same …

Development of a Systematic and Extensible Force Field for Peptoids (STEPs)

BS Harris, KK Bejagam, MD Baer - The Journal of Physical …, 2023 - ACS Publications
Peptoids (N-substituted glycines) are a class of biomimetic polymers that have attracted
significant attention due to their accessible synthesis and enzymatic and thermal stability …

MARTINI-compatible coarse-grained model for the mesoscale simulation of peptoids

M Zhao, J Sampath, S Alamdari, G Shen… - The Journal of …, 2020 - ACS Publications
Peptoids (poly-N-substituted glycines) are a class of synthetic polymers that are
regioisomers of peptides (poly-C-substituted glycines), in which the point of side-chain …

Glutamate affects self-assembly, protein corona, and anti-4 T1 tumor effects of melittin/vitamin E-succinic acid-(glutamate) n nanoparticles

X **, H Wu, J Yu, Y Cao, L Zhang, Z Zhang… - Journal of Controlled …, 2024 - Elsevier
Melittin (M) has attracted increasing attention for its significant antitumor effects and various
immunomodulatory effects. However, various obstacles such as the short plasma half-life …