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Alchemical free-energy perturbation (FEP) is an accurate and thermodynamically stringent way to estimate relative energies for the binding of small ligands to biological macromolecules. It has repeatedly been pointed out that a single simulation normally stays near the starting point in phase space and therefore underestimates the uncertainty of the results. Therefore, it is better to run an ensem
This paper argues that conventional blame practices fall short of capturing the complexity of moral experiences, neglecting power dynamics and discriminatory social practices. It is evident that robots, embodying roles linked to specific social groups, pose a risk of reinforcing stereotypes of how these groups behave or should behave, so they set a normative and descriptive standard. In addition,
The orientation of four species of passerine long-distance migrants was studied in spring and autumn by orientation cage experiments during the twilight period after sunset in Sweden. Two groups of migrants from the Palaearctic-African migration system were used: migrants wintering mainly north of the magnetic equator in west Africa (pied flycatcher, Ficedula hypoleuca, and redstart, Phoenicurus p
Renin from plasma, kidney, and recombinant sources was previously demonstrated to cleave C3 to C3a and C3b. C3a was generated at a similar rate to that by C3 convertase, and C3 cleavage was inhibited by the renin inhibitor aliskiren. Renin endogenously produced by Calu6 cells also led to C3 deposition on cells. These results have been challenged by another group suggesting that recombinant renin d
Digital health and welfare technologies and artificial intelligence are proposed to revolutionise healthcare systems around the world by enabling new models of care. Digital health and welfare technologies enable remote monitoring and treatments, and artificial intelligence is proposed as a means of prediction instead of reaction to individuals’ health and as an enabler of proactive care and rehab
Timely light exposure is a vital aspect to achieve better sleep and well-being. As there are risks with a disturbed circadian rhythm and benefits with light settings that stimulate the rhythm, the circadian effective light, circadian stimulus (CS), for radiographers was examined. Aim: The aim of the study was to compare radiographers’ light environment on the workstations, at a university hospital
DNA-binding proteins play an important role in gene regulation and cellular function. The transcription factors MarA and Rob are two homologous members of the AraC/XylS family that regulate multidrug resistance. They share a common DNA-binding domain, and Rob possesses an additional C-terminal domain that permits binding of low-molecular weight effectors. Both proteins possess two helix-turn-helix
The ubiquity of phospho-ligands suggests that phosphate binding emerged at the earliest stage of protein evolution. To evaluate this hypothesis and unravel its details, we identified all phosphate-binding protein lineages in the Evolutionary Classification of Protein Domains database. We found at least 250 independent evolutionary lineages that bind small molecule cofactors and metabolites with ph
Objectives: It has been belived that changes in diastolic blood velocities in the fetal ductus venosus were due to increased central venous pressure secondary to increased fetal heart strain during hypoxia or heart failure. There have been recent reports of changes in ductus venosus blood velocity without signs of increased fetal heart strain. The aim of this evaluation was to compare blood veloci
Objective: This study examined the prevalence and long-term survival of atrial fibrillation (AF) in the older population. Methods: Data was recruited from the longitudinal SNAC study from baseline (2001–2004) for up to 10 years. Results: The population comprised 6,904 persons (59% women) (mean age 73.9 years). The prevalence of AF was 4.9% and increased with age. The hazard ratio (HR) for death in
Human DNA polymerase λ is an intermediate fidelity member of the X family, which plays a role in DNA repair. Recent X-ray diffraction structures of a ternary complex of a loop-deletion mutant of polymerase λ, a deoxyguanosine triphosphate analogue, and a gapped DNA show that guanine and thymine form a mutagenic mispair with an unexpected Watson-Crick-like geometry rather than a wobble geometry. He
The proposal that enzymatic catalysis is due to conformational fluctuations has been previously promoted by means of indirect considerations. However, recent works have focused on cases where the relevant motions have components toward distinct conformational regions, whose population could be manipulated by mutations. In particular, a recent work has claimed to provide direct experimental evidenc
The present paper explores legal issues concerning connected objects used for health or health-related purposes and their corresponding usage of health and health-related data. It focuses on a patient/healthcare-user-centred perspective and researches the EU legal framework for health data and health-related data. Arguing that the legal framework, as recently complemented with the European Health
In communities of the diaspora, music can be a powerful tool for collectively preserving memories. Along with storytelling, traditional languages, and dancing, songs can represent a living home for stateless nations. Yael Bartana’s new work brings together two groups from two different diasporas: Coral Tradição, a Jewish-Brazilian choir born from the now-destroyed Yiddishland (a nation whose borde
