Allergenicity and Conformational Diversity of Allergens

CA Seidler, R Zeindl, ML Fernández-Quintero… - Allergies, 2024 - mdpi.com
Allergens are substances that cause abnormal immune responses and can originate from
various sources. IgE-mediated allergies are one of the most common and severe types of …

PEP-patch: electrostatics in protein–protein recognition, specificity, and antibody developability

VJ Hoerschinger, F Waibl, ND Pomarici… - Journal of Chemical …, 2023 - ACS Publications
The electrostatic properties of proteins arise from the number and distribution of polar and
charged residues. Electrostatic interactions in proteins play a critical role in numerous …

Energy penalties enhance flexible receptor docking in a model cavity

AS Kamenik, I Singh, P Lak, TE Balius… - Proceedings of the …, 2021 - National Acad Sciences
Protein flexibility remains a major challenge in library docking because of difficulties in
sampling conformational ensembles with accurate probabilities. Here, we use the model …

PEP-Patch: Electrostatics in Protein-Protein Recognition, Specificity and Antibody Developability

F Waibl, ND Pomarici, VJ Hoerschinger, JR Loeffler… - bioRxiv, 2023 - biorxiv.org
The electrostatic properties of proteins arise from the number and distribution of polar and
charged residues. Due to their long-ranged nature, electrostatic interactions in proteins play …

Fabrication of stable spherical soybean lipophilic protein nanogel for curcumin delivery: Carbony oxygen and aromatic ring flexibility binding to the beta− barrel

J Zeng, J Zou, L Zhang, J Zhao, L Liu, G Lu, B Sun… - Food Structure, 2024 - Elsevier
Soybean lipophilic protein (SLP), which comprises approximately 10% polar lipids
(especially phosphatidylcholine (PC)) in glycinin (11S) and β-conglycinin (7S), is a …

pH-dependent structural diversity of profilin allergens determines thermal stability

F Hofer, AL Fischer, AS Kamenik, F Waibl… - Frontiers in …, 2022 - frontiersin.org
The family of profilin allergens is a common class of proteins found in plants, viruses and
various eukaryotes including mammals. Profilins are characterized by an evolutionary …

pH-Based Molecular Dynamics Simulation for Analysing Protein Structure and Folding

S Sasidharan, R Shukla, T Tripathi… - Protein Folding Dynamics …, 2023 - Springer
The structure and function of a protein are influenced by environmental factors like pH,
temperature, salt concentrations, etc. The intrinsic dynamics of a protein in such …