drMD: Molecular Dynamics for Experimentalists.

Molecular dynamics (MD) simulations can be used by protein scientists to investigate a wide array of biologically relevant properties such as the effects of mutations on a protein's structure and activity, or probing intermolecular interactions with small molecule substrates or other macromolecules. Within the world of computational structural biology, several programs have become popular for running these simulations, but each of these programs requires a significant time investment from the researcher to run even simple simulations. Even after learning how to run and analyse simulations, many elements remain a "black box.

Multivariate Divergence in Wild Microbes: No Evidence for Evolution along a Genetic Line of Least Resistance.

AbstractTrait evolution depends both on the direct fitness effects of specific traits and on indirect selection arising from genetically correlated traits. Although well established in plants and animals, the role of trait correlations in microbial evolution remains a major open question. Here, we tested whether genetic correlations in a suite of metabolic traits are conserved between two sister lineages of fungal endophytes and whether phenotypic divergence between lineages occurred in the direction of the multivariate trait combination containing the most genetic variance within lineages (i.

The pandemic within a pandemic: mental health and wellbeing of racially Minoritised women experiencing domestic abuse during the COVID-19 pandemic in the UK.

Background: The prevalence of domestic abuse is greater in times of humanitarian crisis, and the COVID-19 pandemic has been no different. Considerable evidence indicates that domestic abuse disproportionately impacts the mental health and wellbeing of racially Minoritised women. The present study aimed to explore racially Minoritised women's experiences of domestic abuse and mental health in the COVID-19 pandemic in the UK.

Biliopancreatic diversion with duodenal switch results in superior weight loss and diabetes remission in patients with baseline body mass index ≥50.

Background: Patients with body mass index (BMI) ≥50 have more obesity-associated medical problems and often require more aggressive surgical management. Few single-institution comparative studies have been published examining this specific population.

Objectives: The study aims to compare the weight loss and diabetes remission effects of sleeve gastrectomy (SG), Roux-en-Y gastric bypass (RYGB), and biliopancreatic diversion with duodenal switch (BPD/DS).

Is the air-breathing organ a significant route for CO excretion during aquatic hypercapnia in the pirarucu, Arapaima gigas?

The pirarucu is one of the very few obligate air-breathing fish, employing a gigantic, highly vascularized air-breathing organ (ABO). Traditionally, the ABO is thought to serve mainly for O uptake (ṀO), with the gills providing the major route for excretion of CO (ṀCO) and N-waste. However, under aquatic hypercapnia, a common occurrence in its natural environment, branchial ṀCO to the water may become impaired.