Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

PWJM Frederix, I Patmanidis, SJ Marrink - Chemical Society Reviews, 2018 - pubs.rsc.org
In bionanotechnology, the field of creating functional materials consisting of bio-inspired
molecules, the function and shape of a nanostructure only appear through the assembly of …

Guiding principles for peptide nanotechnology through directed discovery

A Lampel, RV Ulijn, T Tuttle - Chemical Society Reviews, 2018 - pubs.rsc.org
Life's diverse molecular functions are largely based on only a small number of highly
conserved building blocks–the twenty canonical amino acids. These building blocks are …

[HTML][HTML] Lipopeptides development in cosmetics and pharmaceutical applications: a comprehensive review

M Pilz, P Cavelius, F Qoura, D Awad, T Brück - Biotechnology Advances, 2023 - Elsevier
Lipopeptides are surface active, natural products of bacteria, fungi and green-blue algae
origin, having diverse structures and functionalities. In analogy, a number of chemical …

Self-assembled peptide nanostructures for functional materials

MS Ekiz, G Cinar, MA Khalily, MO Guler - Nanotechnology, 2016 - iopscience.iop.org
Nature is an important inspirational source for scientists, and presents complex and elegant
examples of adaptive and intelligent systems created by self-assembly. Significant effort has …

Ultrashort peptide self-assembly: front-runners to transport drug and gene cargos

S Gupta, I Singh, AK Sharma, P Kumar - Frontiers in Bioengineering …, 2020 - frontiersin.org
The translational therapies to promote interaction between cell and signal come with
stringent eligibility criteria. The chemically defined, hierarchically organized, and simpler yet …

[HTML][HTML] Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations

BJ Williams-Noonan, A Kamboukos… - Chemical Physics …, 2023 - pubs.aip.org
Peptide self-assembly is the process by which peptide molecules aggregate into low
dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug …

Effect of H-bonding on order amplification in the growth of a supramolecular polymer in water

M Garzoni, MB Baker, CMA Leenders… - Journal of the …, 2016 - ACS Publications
While a great deal of knowledge on the roles of hydrogen bonding and hydrophobicity in
proteins has resulted in the creation of rationally designed and functional peptidic structures …

From cooperative self-assembly to water-soluble supramolecular polymers using coarse-grained simulations

D Bochicchio, GM Pavan - ACS nano, 2017 - ACS Publications
Supramolecular polymers, formed via noncovalent self-assembly of elementary monomers,
are extremely interesting for their dynamic bioinspired properties. In order to understand …

Recent advancements in enzyme‐incorporated nanomaterials: Synthesis, mechanistic formation, and applications

S Anboo, SY Lau, J Kansedo, PS Yap… - Biotechnology and …, 2022 - Wiley Online Library
Over the past decade, nanotechnology has been developed and employed across various
entities. Among the numerous nanostructured material types, enzyme‐incorporated …

Self-assembly mechanisms of nanofibers from peptide amphiphiles in solution and on substrate surfaces

HS Liao, J Lin, Y Liu, P Huang, A Jin, X Chen - Nanoscale, 2016 - pubs.rsc.org
We report the investigation of the self-assembly mechanism of nanofibers, using a small
peptide amphiphile (NapFFKYp) as a model. Combining experimental and simulation …