An enzymatic reaction mediated glucose sensor activated by MnO nanosheets acting as an oxidant and catalyst.

A self-regulated smart system would be highly desirable for analyte detection, in which a specific environment for detection could be self-modulated and the required reagents could also be in situ generated without further addition. Here, we have designed an intelligent glucose detection system composed of glucose, glucose oxidase (GOx), MnO2 and 3,3',5,5'-tetramethylbenzidine (TMB), based on the enzymatic oxidation of glucose and dual roles of synthesized MnO2 nanosheets acting as both an oxidant and catalyst. Upon the addition of glucose/GOx, the MnO2 nanosheets partially decompose due to H2O2in situ generated via glucose oxidation.

Revealing interaction mode between HIV-1 protease and mannitol analog inhibitor.

HIV protease is a key enzyme to play a key role in the HIV-1 replication cycle and control the maturation from HIV viruses to an infectious virion. HIV-1 protease has become an important target for anti-HIV-1 drug development. Here, we used molecular dynamics simulation to study the binding mode between mannitol derivatives and HIV-1 protease.

Conformational selection or induced fit for Brinker and DNA recognition.

Brinker is the key target protein of the Drosophila Decapentaplegic morphogen signalling pathway. Brinker is widely expressed and can bind with DNA. NMR spectra suggest that apo-Brinker is intrinsically unstructured and undergoes a folding transition upon DNA-binding.

Insight into the stability of cross-beta amyloid fibril from molecular dynamics simulation.

Amyloid fibrils are considered to play causal roles in the pathogenesis of amyloid-related degenerative diseases such as Alzheimer's disease, type II diabetes mellitus, the transmissible spongiform encephalopathies, and prion disease. The mechanism of fibril formation is still hotly debated and remains an important open question. In this study, we utilized molecular dynamics (MD) simulation to analyze the stability of hexamer for eight class peptides.