The genetically and antigenically diverse group of noroviruses is the major cause human viral epidemic gastroenteritis worldwide. Virus detection control are thus crucial topics when aiming at containing preventing resulting large often persisting outbreaks. Aptamers provide a promising alternative to antibodies concerning their ability bind detect influence bio-active molecules. These small, single-stranded oligonucleotides able multitude possible target molecules with high affinity. For...

Abstract Storage and directed transfer of information is the key requirement for development life. Yet any stored on our genes useless without its correct interpretation. The genetic code defines rule set to decode this information. Aminoacyl-tRNA synthetases are at heart process. We extensively characterize how these enzymes distinguish all natural amino acids based computational analysis crystallographic structure data. results meta-analysis show that read-out a delicate interplay between...

Cyclophilin A (CypA) is a peptidyl-prolyl cis/trans-isomerase that involved in multiple signaling events of eukaryotic cells. It might either act as catalyst for prolyl bond isomerization, or it can form stoichiometric complexes with target proteins. We have investigated the linear sequence recognition code CypA by phage display and found consensus motif FGPXLp to be selected after five rounds panning. The peptide FGPDLPAGD showed inhibition isomerase reaction NMR chemical shift mapping...

Comparison between wild-type and mutated glycoprotein hormone receptors (GPHRs), TSH receptor, FSH LH-chorionic gonadotropin receptor is established to identify determinants involved in molecular activation mechanism. The basic aims of the current work are 1) discrimination phenotypes according differences activity states they represent, 2) assignment classified three-dimensional structural positions reveal 3) functional-structural hot spots 4) interrelations that responsible for...

Machine learning strategies are prominent tools for data analysis. Especially in life sciences, they have become increasingly important to handle the growing datasets collected by scientific community. Meanwhile, algorithms improve performance, but also gain complexity, and tend neglect interpretability comprehensiveness of resulting models.Generalized Matrix Learning Vector Quantization (GMLVQ) is a supervised, prototype-based machine method provides comprehensive visualization capabilities...

In this work, we present a new publicly available offensive language dataset of 10.278 German social media comments collected in the first half 2021 that were annotated by total six annotators. With twelve different annotation categories, it is far more comprehensive than other datasets, and goes beyond just hate speech detection. The labels aim particular also at toxicity, criminal relevance discrimination types comments.Furthermore, about are from coherent parts conversations, which opens...

Aptamers are an interesting alternative to antibodies in pharmaceutics and biosensorics, because they able bind a multitude of possible target molecules with high affinity. Therefore the process finding such aptamers, which is commonly SELEX screening process, becomes crucial. The standard procedure schedules validation certain found aptamers via binding experiments, not leading any detailed specification aptamer enrichment during screening. For purpose advanced analysis accrued within...

p Hydroxybenzoate hydroxylase (PHBH; EC 1.14.13.2) is a microbial group A flavoprotein monooxygenase that catalyzes the ortho-hydroxylation of 4-hydroxybenzoate to 3,4-dihydroxybenzoate with stoichiometric consumption NAD(P)H and oxygen. PHBH related enzymes lack canonical NAD(P)H-binding domain way they interact pyridine nucleotide coenzyme has remained conundrum. Previously, we identified surface exposed protein segment from Pseudomonas fluorescens involved in NADPH binding. Here, report...

Micro-pollutants such as 17β-Estradiol (E2) have been detected in different water resources and their negative effects on the environment organisms observed. Aptamers are established a possible detection tool, but underlying ligand binding is largely unexplored. In this study, previously described 35-mer E2-specific aptamer was used to analyse characteristics between E2 with MD simulation an aqueous medium. Because there no 3D structure information available for aptamer, it modeled using...

A reliable prediction of the Xaa-Pro peptide bond conformation would be a useful tool for many protein structure calculation methods. We have analyzed Protein Data Bank and show that combined use sequential structural information has predictive value assessment cis versus trans within proteins. For analysis data sets different statistical methods such as Chou-Fasman parameters occurrence matrices were used. Furthermore we relationship between relative solvent accessibility prolines in...

Abstract Motivation: Misfolding of membrane proteins plays an important role in many human diseases such as retinitis pigmentosa, hereditary deafness and diabetes insipidus. Little is known about there are only very few high-resolution structures. Single-molecule force spectroscopy a novel technique, which measures the necessary to pull protein out membrane. Such curves contain valuable information on structure, conformation, inter- intra-molecular forces. High-throughput experiments...

The origin of the machinery that realizes protein biosynthesis in all organisms is still unclear. One key component this are aminoacyl tRNA synthetases (aaRS), which ligate tRNAs to amino acids while consuming ATP. Sequence analyses revealed these enzymes can be divided into two complementary classes. Both classes differ significantly on a sequence and structural level, feature different reaction mechanisms, occur diverse oligomerization states. one unifying aspect both their function...

An investigation of the structural and dynamic properties C-terminal fragment human protein VASP (VASP 336−380) has been performed. Full length shown to be tetrameric in solution, 45 residues have suggested responsible for oligomerization. We expressed purified a from residue 336−380. It was found form stable domain its own right. The by CD spectroscopy helical structure, under wide range temperature pH conditions. A 15N-HSQC-experiment exhibits only one set peaks, suggesting high degree...

Producing sterile glass surfaces is of great importance for a wide range laboratory and medical applications, including in vitro cell culture tissue engineering. However, sterilization may change the surface properties thereby affect its use instance as substrate culturing cells. To investigate potential effects on topography, borosilicate coverslips were left untreated or subjected to several common procedures, low-temperature plasma gas, gamma irradiation steam. Imaging by atomic force...

Abstract Summary: COPS predicts for all 20 naturally occurring amino acids whether the peptide bond in a protein is cis or trans conformation. The algorithm based only on secondary structure information of acid triplets without considering sequence information. Conformation parameters are derived from solved 3D structures deposited PDB and led to propensities modified Chou–Fasman parameters. analyses taking their respective into consideration upon application set rules utilizing conformation...