OLIVES: A Go̅-like Model for Stabilizing Protein Structure via Hydrogen Bonding Native Contacts in the Martini 3 Coarse-Grained Force Field.

Coarse-grained molecular dynamics simulations enable the modeling of increasingly complex systems at millisecond timescales. The transferable coarse-grained force field Martini 3 has shown great promise in modeling a wide range of biochemical processes, yet folded proteins in Martini 3 are not stable without the application of external bias potentials, such as elastic networks or Go̅-like models. We herein develop an algorithm, called OLIVES, which identifies native contacts with hydrogen bond capabilities in coarse-grained proteins and use it to implement a novel Go̅-like model for Martini 3.

Effect of graduated drug therapy for moderate-to-severe chronic insomnia on the severity of disease: an observational study in Germany.

Study Objectives: Severe chronic insomnia is a common sleep disorder that is mostly persistent and needs to be treated. Pharmacologic treatment options and guidelines are sparse, particularly for long-term treatment. Our study aimed to investigate a graduated therapy scheme for moderate-to-severe chronic insomnia in practice, considering the effects on self-reported sleep quality and quality of life.

Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter.

Sucrose import from photosynthetic tissues into the phloem is mediated by transporters from the low-affinity sucrose transporter family (SUC/SUT family). Furthermore, sucrose redistribution to other tissues is driven by phloem sap movement, the product of high turgor pressure created by this import activity. Additionally, sink organs such as fruits, cereals and seeds that accumulate high concentrations of sugar also depend on this active transport of sucrose.

100 pT/cm single-point MEMS magnetic gradiometer from a commercial accelerometer.

Magnetic sensing is present in our everyday interactions with consumer electronics and demonstrates the potential for the measurement of extremely weak biomagnetic fields, such as those of the heart and brain. In this work, we leverage the many benefits of microelectromechanical system (MEMS) devices to fabricate a small, low-power, and inexpensive sensor whose resolution is in the range of biomagnetic fields. At present, biomagnetic fields are measured only by expensive mechanisms such as optical pumping and superconducting quantum interference devices (SQUIDs), suggesting a large opportunity for MEMS technology in this work.

Effect of cholesterol on the dimerization of C99-A molecular modeling perspective.

C99, a naturally occurring peptide, is a precursor of the amyloid β-peptide (Aβ) and plays an important role in the so-called amyloidogenic pathway of degradation of amyloid precursor protein. While the effect of C99's dimerization is not clearly determined, it has been hypothesized that the dimerization protects C99 from being cleaved further. Cholesterol (CHOL) is known to interact with C99 and its presence in high concentrations has been linked to an increase in the production of Aβ; however, to what extent this is correlated, and how, has not yet been determined.