RSC Advances  

Predict SLC6 mutation clinical pathogenicity by calculating the amino acid descriptors in different ranges with rationalization analysis of the prediction.

Engineering the substrate-binding-helix of the keto-reductase domain of TENS controls chain-length selectivity of the products.

Two QSAR models which correlates the interaction energy and structural features of agonists and antagonists of M1-AChR.

The incorporation of deuterium into peptides and proteins holds broad applications across various fields, such as drug development and structural characterization.

A single-molecule electrophysiology assay was employed using an α-HL nanopore to test the stability of ssDNA and gp32 SSB–protein, in different salt conditions. Low salt and the presence of Zn²⁺ increases ssDNA–gp32 complex stability.

A deep learning approach centered on electron density is suggested for predicting the binding affility between proteins and ligands. The approach is thoroughly assessed using various pertinent benchmarks.

De novo designed aliphatic and aromatic peptides form biomimetic supramolecular nanofibrils illuminating the intricacies of the pathogenic amyloid assemblies.

MD simulations pinpointed temperature-sensitive glycine residues in LrInu. Substituting these glycines with proline significantly improved stability and levan yield.

Decoding arsenic's impact: data mining protein structures in the protein data bank through amino acid mapping.

In this review, we have discussed some features of protein aggregation during production, formulation and storage as well as stabilization strategies in protein engineering and computational methods to prevent aggregation.

Using SARS-CoV-2 M^pro as a case study, Wasserstein distance and dimension reduction are applied to the analysis of MD data of flexible complexes. The resulting embedding map correlates ligand-induced conformational differences and binding affinity.

Binding interactions of fluorescent flavonols with the β-glucosidase enzyme are studied using fluorescence spectroscopy in combination with molecular docking and molecular dynamics simulations.