Design and Optimization of an α-Helical Bundle Dimer Cell-Penetrating Peptide for In Vivo Drug Delivery

S Hyun, D Kim, J Cho, D Jeong… - Bioconjugate …, 2022 - ACS Publications
To deliver membrane-impermeable drugs into eukaryotic cells, a lot of cell-penetrating
peptides (CPPs) were discovered. Previously we designed an amphipathic α-helical peptide …

Determination of absolute orientation of protein α-helices at interfaces using phase-resolved sum frequency generation spectroscopy

L Schmüser, S Roeters, H Lutz… - The Journal of …, 2017 - ACS Publications
Understanding the structure of proteins at surfaces is key in fields such as biomaterials
research, biosensor design, membrane biophysics, and drug design. A particularly important …

De Novo Design and Characterization of Amphiphilic Peptides with Basic Side Chains for Tailored Interfacial Chemistries

M Bregnhøj, TW Golbek, F Madzharova, T Weidner - Langmuir, 2024 - ACS Publications
Lysine–leucine (LK) peptides have been used as model systems and platforms for 2D
material design for decades. LK peptides are amphiphilic sequences designed to bind and …

[HTML][HTML] Predicting the orientation of protein G B1 on hydrophobic surfaces using Monte Carlo simulations

ET Harrison, T Weidner, DG Castner, G Interlandi - Biointerphases, 2017 - pubs.aip.org
A Monte Carlo algorithm was developed to predict the most likely orientations of protein G
B1, an immunoglobulin G (IgG) antibody-binding domain of protein G, adsorbed onto a …

Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations

J Sampath, J Pfaendtner - Molecular Physics, 2019 - Taylor & Francis
The leucine-lysine amphiphilic peptide LKα14 has been used to study fundamental driving
forces in processes such as peptide-surface binding and biomineralization. Here, we …

Oligomer formation propensities of dimeric bundle peptides correlate with cell penetration abilities

S Hyun, Y Lee, SM Jin, J Cho, J Park… - ACS Central …, 2018 - ACS Publications
LK-3, an amphipathic dimeric peptide linked by two disulfide bonds, and related isomeric
bundles were synthesized, and their cell penetrating abilities were investigated. The …

De Novo Designed Cell-Penetrating Peptide Self-Assembly Featuring Distinctive Tertiary Structure

J Park, E Yamashita, J Yu, SJ Lee, S Hyun - ACS omega, 2024 - ACS Publications
Recent attention has focused on the de novo design of proteins, paralleling advancements
in biopharmaceuticals. Achieving protein designs with both structure and function poses a …

Acetylation dictates the morphology of nanophase biosilica precipitated by a 14‐amino acid leucine–lysine peptide

H Lutz, V Jaeger, M Bonn, J Pfaendtner… - Journal of Peptide …, 2017 - Wiley Online Library
N‐terminal acetylation is a commonly used modification technique for synthetic peptides,
mostly applied for reasons of enhanced stability, and in many cases regarded as …

The air-water interface stabilizes α-helical conformations of the insulin B-chain

DL Cheung - The Journal of Chemical Physics, 2019 - pubs.aip.org
Adsorption of proteins onto liquid interfaces, such as the air-water interface, often leads to
changes in the protein conformation. This can lead to changes in protein assembly behavior …

Representing environment-induced helix-coil transitions in a coarse grained peptide model

C Dalgicdir, C Globisch, M Sayar, C Peter - The European Physical …, 2016 - Springer
Coarse grained (CG) models are widely used in studying peptide self-assembly and
nanostructure formation. One of the recurrent challenges in CG modeling is the problem of …