Binding affinity prediction of protein-ligand complexes has attracted widespread interest. In this study, a self-adaptive steered molecular dynamics (SMD) method is proposed to reveal the binding affinity of protein-ligand complexes. The SMD method is executed through adjusting pulling direction to find an optimum trajectory of ligand dissociation, which is realized by minimizing the stretching...

The latest research seems to imply that all earthquakes are born equal. But combining that insight with earlier, seemingly contradictory, work could help us to tell which tremors grow to become more equal than others. In an analysis on page 358 (/nature/journal/v444/n7117/full/nature05275.html) of this issue1 (/nature/journal/v444/n7117/full/444276a.html#B1) , Steven Wesnousky provides strong e...

Elastomers and gels can often deformmultiple times their original length. The stretchability is insensitive to small cuts in the samples, but reduces markedly when the cuts are large. We show that this transition occurs when the depth of cut exceeds a material-specific length, defined by the ratio of the fracture energy measured in the large-cut limit and the work to rupture measured in the sma...

This paper presents a procedure to optimize a conceptual ship side structure from a crashworthiness point of view. As an example, this procedure is presented for a chemical or product tanker. A particle swarm optimization algorithm is used for the procedure. The classification society compliance of the conceptual design is checked through service loads that are applied to the ship’s hull girder...

Quality control in orthopaedic diagnostics according to DIN EN ISO 9000ff requires methods of non-destructive process control, which do not harm the patient by radiation or by invasive examinations. To obtain an improvement in health economy, quality-controlled and non-destructive measurements have to be introduced into the diagnostics and therapy of human joints and bones. A non-invasive evalu...

The progression of a cerebral aneurysm involves degenerative arterial wall remodeling. Various hemodynamic parameters are suspected to be major mechanical factors related to the genesis and progression of vascular diseases. Flow alterations caused by the insertion of coils and stents for interventional aneurysm treatment may affect the aneurysm embolization process. Therefore, knowledge of hemo...

Background Uterine rupture in a term pregnancy is an adverse and rare event with serious maternal and fetal consequences. The history of uterine septum resection is considered as a risk factor for uterine rupture. Women with such circumstances are thus recommended to be considered as having a high-risk pregnancy. Accordingly, their prenatal care should be implemented in shorter intervals during...

Histologic chorioamnionitis occurs in approximately 50–60% of women with preterm premature rupture of membranes (PPROM). This condition is thought to represent antenatal inflammation/infection, which contributes to impending preterm birth and neonatal sepsis, chronic lung disease, and brain injury. Early and accurate diagnosis of chorioamnionitis is important, although it is limited by the fact...