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We have critically examined and compared various ways to obtain standard harmonic molecular mechanics (MM) force-field parameters for metal sites in proteins, using the 12 most common Zn2+ sites as test cases. We show that the parametrization of metal sites is hard to treat with automatic methods. The choice of method is a compromise between speed and accuracy and therefore depends on the intended
This article discusses the drivers behind why Swedes move to Portugal and who these migrants are. The conceptual framework is based on lifestyle migration and considers migration as a process. Using a semi-structured interview guide, designed according to a life-course approach, 36 in-depth interviews with Swedes permanently residing in Portugal were conducted. The findings display that only a sma
About one in ten persons is born with, or develops, a physical, sensory or mental impairment. When this stops a person from participating in normal life, it becomes a handicap. The aim of this Building Issue is to help create physical environments, particularly in public buildings, that support people with physical and sensory impairments, so that they do not become handicapped. This report identi
This paper presents a new approach for the evaluation of User Experience (UX) aspects applied to virtual museums (VM) - VMUXE. A wide percentage of projects and applications for VMs are often "born and buried" in digital labs, without having been experimented and monitored with people. These "prototypes" are the result of experts, technicians, curators, combined together to give birth for multidis
The global burden of neurological disorders is substantial and increasing, especially in low-resource settings. The current increased global interest in brain health and its impact on population wellbeing and economic growth, highlighted in the World Health Organization’s new Intersectoral Global Action Plan on Epilepsy and other Neurological Disorders 2022–2031, presents an opportunity to rethink
ObjectivesCancer related pain (CRP) is among the most frequent collateral effects of cancer, with chronic CRP, lasting at least three months, affecting >40% of cancer survivors.Evidence based treatments, including pain-focused Cognitive Behavioral Therapy(CBT) are available, but it appears that cancer patients/survivors are often poorlyinformed about CRP or the potential benefits of CBT for such p
Marine sedimentary ikaite is the parent mineral to glendonite, stellate pseudomorphs found throughout the geological record which are most usually composed of calcite. Ikaite is known to be metastable at earth surface temperatures and pressures, readily breaking down to more stable carbonate polymorphs when exposed to warm (ambient) conditions. Yet the process of transformation of ikaite to calcit
In other hazardous complex socio-technical systems in society, e.g. nuclear power and aviation, systems-theoretical assumptions are considered a promising way to better understand and manage safety. In this paper, two fundamental approaches to road safety were assessed in the light of a systems theory approach. One approach, is based on a premise where individual road-users are solely responsible
Chronic groin postherniorrhaphy pain (CGPP) is common and sometimes so severe that surgical treatment is necessary. The aim of this study was to identify risk factors for being reoperated due to CGPP.
A search for contributions to the reaction ep --> epi(0)N* from photon-odderon fusion in the photoproduction regime at HERA is reported, at an average photon-proton centre-of-mass energy
In this second issue on the scholar and public intellectual Yu Jianrong, we address some of the topics that have been at the core of his academic work and where his research and views have helped shaped awareness of these issues among the general public and the academic community. We focus on the rural-urban divide, land issues (including land confiscations and property demolitions), the letters a
The high frequency of contact allergy to gold in patients with dermatitis was established after exhaustive skin testing, determining the right test agent, the best concentration, and repeated test readings. Metallic gold in contact with skin is slowly ionized, permitting absorption and haptenisation. Contact allergy to gold is statistically correlated to the presence of dental gold. But in many ca
Background Screening for cervical cancer based on testing for human papillomavirus (HPV) increases the sensitivity of detection of high-grade (grade 2 or 3) cervical intraepithelial neoplasia, but whether this gain represents overdiagnosis or protection against future high-grade cervical epithelial neoplasia or cervical cancer is unknown. Methods In a population-based screening program in Sweden,
