A5060288685- Monoclonal and Polyclonal Antibodies Research
- Protein purification and stability
- Protein Structure and Dynamics
- Glycosylation and Glycoproteins Research
- RNA and protein synthesis mechanisms
- Enzyme Structure and Function
- Food Allergy and Anaphylaxis Research
- Galectins and Cancer Biology
- Allergic Rhinitis and Sensitization
- Mass Spectrometry Techniques and Applications
- Spectroscopy and Quantum Chemical Studies
- Advanced Biosensing Techniques and Applications
- Free Radicals and Antioxidants
- Contact Dermatitis and Allergies
Universität Innsbruck
2020-2024
Protein folding is a fascinating, not fully understood phenomenon in biology. Molecular dynamics (MD) simulations are an invaluable tool to study conformational changes atomistic detail, including and unfolding processes of proteins. However, the accuracy ensembles derived from MD inevitably relies on quality underlying force field combination with respective water model. Here, we investigate protein folding, unfolding, misfolding fast-folding proteins by examining different fields their...
The relative orientation of the two variable domains, VH and VL , influences shape antigen binding site, that is, paratope, is essential to understand specificity. ABangle characterizes -VL by using five angles a distance compares it other known structures. Molecular dynamics simulations antibody domains (Fvs) reveal fluctuations in domain orientations. observed between these are confirmed NMR experiments on single-chain fragment (scFv) complex with IL-1β an antigen-binding (Fab)....
The electrostatic properties of proteins arise from the number and distribution polar charged residues. Electrostatic interactions in play a critical role numerous processes such as molecular recognition, protein solubility, viscosity, antibody developability. Thus, characterizing quantifying are prerequisites for understanding these processes. Here, we present PEP-Patch, tool to visualize quantify potential on surface terms patches, denoting separated areas with common physical property. We...
As the current biotherapeutic market is dominated by antibodies, design of different antibody formats, like bispecific antibodies and other new represent a key component in advancing therapy. When designing targeted modulation pairing preferences key. Several existing approaches are successful, but expanding repertoire possibilities would be desirable. Cognate immunoglobulin G depend on homodimerization fragment crystallizable regions two identical heavy chains. By modifying dimeric...
Grid Inhomogeneous Solvation Theory (GIST) has proven useful to calculate localized thermodynamic properties of water around a solute. Numerous studies have leveraged this information enhance structure-based binding predictions. We recently extended GIST toward chloroform as solvent allow the prediction passive membrane permeability. Here, we further generalize algorithm all solvents that can be modeled rigid molecules. This restriction is inherent method and already present in inhomogeneous...
ABSTRACT The electrostatic properties of proteins arise from the number and distribution polar charged residues. Due to their long-ranged nature, interactions in play a critical role numerous processes, such as molecular recognition, protein solubility, viscosity, antibody developability. Thus, characterizing quantifying is pre-requisite for understanding these processes. Here, we present PEP-Patch, tool visualize quantify potential on surface showcase its applicability elucidate protease...
Abstract Summary Inter-domain orientations between immunoglobulin domains are important for the modeling and engineering of novel antibody therapeutics. Previous tools to describe these applicable only variable antibodies T-cell receptors. We present “Orientation Cylindrical Domains (OCD)” tool, which employs a transferable approach calculate inter-domain all domains. Based on reference structure, OCD tool automatically builds suitable coordinate system each domain. Through alignment,...
Allergies related to kiwi consumption have become a growing health concern, with their prevalence on the rise. Many of these allergic reactions are attributed cross-reactivity, particularly major allergen found in birch pollen. This cross-reactivity is associated proteins belonging pathogenesis-related class 10 (PR-10) protein family. In our study, we determined three-dimensional structures two PR-10 gold and green fruits, Act c 8 d 8, using nuclear magnetic resonance (NMR) spectroscopy. The...