Structure and dynamics of interfacial peptides and proteins from vibrational sum-frequency generation spectroscopy

S Hosseinpour, SJ Roeters, M Bonn, W Peukert… - Chemical …, 2020 - ACS Publications
Proteins at interfaces play important roles in cell biology, immunology, bioengineering, and
biomimetic material design. Many biological processes are based on interfacial protein …

Self-assembling peptide-based building blocks in medical applications

H Acar, S Srivastava, EJ Chung… - Advanced drug delivery …, 2017 - Elsevier
Peptides and peptide-conjugates, comprising natural and synthetic building blocks, are an
increasingly popular class of biomaterials. Self-assembled nanostructures based on …

Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces

SJ Roeters, K Strunge, KB Pedersen… - Nature …, 2023 - nature.com
The amyloid aggregation of α-synuclein (α S), related to Parkinson's disease, can be
catalyzed by lipid membranes. Despite the importance of lipid surfaces, the 3D-structure and …

[HTML][HTML] Not only in silico drug discovery: Molecular modeling towards in silico drug delivery formulations

T Casalini - Journal of Controlled Release, 2021 - Elsevier
The use of methods at molecular scale for the discovery of new potential active ligands, as
well as previously unknown binding sites for target proteins, is now an established reality …

Molecular modeling for nanomaterial–biology interactions: Opportunities, challenges, and perspectives

T Casalini, V Limongelli, M Schmutz, C Som… - … in bioengineering and …, 2019 - frontiersin.org
Injection of nanoparticles (NP) into the bloodstream leads to the formation of a so-called
“nano–bio” interface where dynamic interactions between nanoparticle surfaces and blood …

[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 …

Mechanistic insights into the size-dependent effects of nanoparticles on inhibiting and accelerating amyloid fibril formation

T John, J Adler, C Elsner, J Petzold, M Krueger… - Journal of Colloid and …, 2022 - Elsevier
The aggregation of peptides into amyloid fibrils has been linked to ageing-related diseases,
such as Alzheimer's and type 2 diabetes. Interfaces, particularly those with large …

Self-assembled peptide–inorganic nanoparticle superstructures: from component design to applications

C Pigliacelli, R Sánchez-Fernández… - Chemical …, 2020 - pubs.rsc.org
Peptides have become excellent platforms for the design of peptide–nanoparticle hybrid
superstructures, owing to their self-assembly and binding/recognition capabilities. Morover …

Insights into characterization methods and biomedical applications of nanoparticle–protein corona

Y Li, JS Lee - Materials, 2020 - mdpi.com
Nanoparticles (NPs) exposed to a biological milieu will strongly interact with proteins,
forming “coronas” on the surfaces of the NPs. The protein coronas (PCs) affect the properties …

Nanomaterials for modulating the aggregation of β-amyloid peptides

Y Huang, Y Chang, L Liu, J Wang - Molecules, 2021 - mdpi.com
The aberrant aggregation of amyloid-β (Aβ) peptides in the brain has been recognized as
the major hallmark of Alzheimer's disease (AD). Thus, the inhibition and dissociation of Aβ …