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Phosphorylation is one of the most abundant types of post-translational modifications of intrinsically disordered proteins (IDPs). This study examines the conformational changes in the 15-residue-long N-terminal fragment of the IDP statherin upon phosphorylation, using computer simulations with two different force fields: AMBER ff99SB-ILDN and CHARMM36m. The results from the simulations are compar
We present a scheme for transferring conformational degrees of freedom from all-atom (AA) simulations of an intrinsically disordered protein (IDP) to coarse-grained (CG) Monte Carlo (MC) simulations using conformational swap moves. AA simulations of a single histatin 5 peptide in water were used to obtain a structural ensemble, which is reweighted in a CGMC simulation in the presence of a negative
In this paper, we describe the conversion of three different heart transplantation data sets to a Resource Description Framework (RDF) representation and how it can be utilized to train deep learning models. These models were used to predict the outcome of patients both pre- and post-transplant and to calculate their survival time. The International Society for Heart & Lung Transplantation (IS
ABTRACT: tRNA-derived fragments or tRFs were long considered merely degradation intermediates of full-length tRNAs; however, emerging research is highlighting unanticipated new and highly distinct functions in epigenetic control, metabolism, immune activity and stem cell fate commitment. Importantly, recent studies suggest that RNA epitranscriptomic modifications may provide an additional regulato
Quantitative inferences about psychological attributes, such as extraversion, depression and empathy, involve measurement instruments as well as mathematical models that specify how indicators should be aggregated. The type of model that is appropriate for doing so is conditional on the type of relation that exists between an attribute, its facets and its indicators. The common assumption is that
Background: The path between patients and health care providers has adopted new advanced information technologies. However, opinions vary about the digital care meeting. Physicians have expressed concerns about increased workload, changes in working methods, and information security. Purpose: To explore physicians’ experiences and satisfaction of digital primary health care. Method: A convergent m
Membrane fouling is the major factor limiting the wider applicability of the membrane-based technologies in water treatment and in separation and purification processes of biorefineries, pulp and paper industry, food industry and other sectors. Endeavors to prevent and minimize fouling requires a deep understanding on the fouling mechanisms and their relative effects. In this study, Brunauer-Emmet
Background: The changing health care environment promotes the adoption of new information technologies to connect patients and health care providers. However, individuals greatly vary in their ability to use new digital systems, and in their feelings regarding integrity and validation. Caregivers in southern Sweden plan to implement a new digital primary health care (DPHC) service, and patients’ e
The genomes of Asgard Archaea, a novel archaeal proposed superphylum, share an enriched repertoire of eukaryotic signature genes and thus promise to provide insights into early eukaryote evolution. However, the distribution, metabolisms, cellular structures, and ecology of the members within this superphylum are not well understood. Here we provide a meta-analysis of the environmental distribution
Ectopic 'humanized ossicles' (hOss) are miniaturized, engineered human bone organs in mice displaying a similar structure and function to native mouse bones. However, they are composed of human mesenchymal derived cells forming a humanized bone marrow niche. This in vivo reconstitution of human skeletal and hematopoietic compartments provides an opportunity to investigate the cellular and molecula
Background: Efforts to identify specific variables most related to outcomes in interdisciplinary pain rehabilitation are challenged by the complexity of chronic pain. Methods to manage this complexity are needed. In this study we apply network analysis to a large sample of people seeking interdisciplinary pain treatment. The purpose of the study was to determine the network structure entailed in t
Detailed diagenetic studies of the late Cambrian Alum Shale in southern Sweden were undertaken across an interval that includes the peak Steptoean Positive Carbon Isotope Excursion (SPICE) event to evaluate the pyrite mineralization history in the formation. Samples were collected from the Andrarum-3 core (Scania, Sweden); here the Alum was deposited in the distal, siliciclastic mudstone-rich end
The consumption of oxygen in ice covered lakes is analyzed and related to biological oxygen demand and sediment oxygen demand. An approach for computing dissolved oxygen concentration is suggested assuming horizontally mixed waters and negligible vertical dispersion. It is found that the depletion of dissolved oxygen is mainly due to the transfer of oxygen at the water/sediment interface. The morp
Background: Tobacco smoking and alcohol consumption have been intensively studied in the general population to assess their effects on the risk of breast cancer, but very few studies have examined these effects in BRCA1 and BRCA2 mutation carriers. Given the high breast cancer risk for mutation carriers and the importance of BRCA1 and BRCA2 in DNA repair, better evidence on the associations of the
