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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 article, it is shown that by exposing commonly used lipids for biomembrane mimicking studies, to a solution containing the histidine-rich intrinsically disordered protein histatin 5, a protein cushion spontaneously forms underneath the bilayer. The underlying mechanism is attributed to have an electrostatic origin, and it is hypothesized that the observed behavior is due to proton charge f
Managing variability in control programs often requires code duplication or that all variants are anticipated in advance. In this paper, we present a new approach to obtaining modular functionality reuse across variants. Using the language mechanisms diagram inheritance and connection interception, a feature model and an interactive feature-selection wizard can be automatically derived from the co
The objective was to investigate if diffusing laser fibres can be modelled as conductive heat sources without miscalculating coagulated volumes, and if finite element analysis, disregarding light transport, may be used for three dimensional (3D) treatment planning in interstitial laser thermotherapy (ILT). Temperature distributions and coagulated volumes with a diffusing laser fibre, as compared t
When a biomaterial is inserted into the body, proteins rapidly adsorb onto its surface, creating a conditioning protein film that functions as a link between the implant and adhering cells. Depending on the nano-roughness of the surface, proteins will adsorb in different amounts, with different conformations and orientations, possibly affecting the subsequent attachment of cells to the surface. Th
As global warming is proceeding due to rising greenhouse gas concentrations, the Earth system moves towards climate states that challenge adaptation. Past Earth system states are offering possible modelling systems for the global warming of the coming decades. These include the climate of the mid-Pliocene (∼ 3 Ma), the last interglacial (∼ 129-116 ka) and the mid-Holocene (∼ 6 ka). The simulations
Massive multiple-input multiple-out (MIMO) technology is vital in millimeter-wave (mmWave) bands to obtain large array gains. However, there are practical challenges, such as high hardware cost and power consumption in such systems. A promising solution to these problems is to adopt a hybrid beamforming architecture. This architecture has a much lower number of transceiver (TRx) chains than the to
Using light scattering (LS), small-angle X-ray scattering (SAXS), and coarse-grained Monte Carlo (MC) simulations, we studied the self-interactions of two monoclonal antibodies (mAbs), PPI03 and PPI13. With LS measurements, we obtained the osmotic second virial coefficient, B22, and the molecular weight, Mw, of the two mAbs, while with SAXS measurements, we studied the mAbs' self-interaction behav
The osmotic pressure of dilute electrolyte solutions containing charged macro-ions as well as counterions can be computed directly from the particle distribution via the well-known cell model. Originally derived within the Poisson-Boltzmann mean-field approximation, the cell model considers a single macro-ion centered into a cell, together with counterions needed to neutralize the total cell charg
BackgroundDischarge from a neonatal care unit is often experienced as a vulnerable time for parents. By communicating through digital technology, it may be possible to improve the support for parents and thereby make the transition from hospital to home less stressful.AimTo develop an eHealth device supporting the transition from hospital to home for parents with a preterm‐born child in Sweden usi
The operating mechanisms of a planar patch antenna with a parasitic strip is analyzed in this paper. The patch antenna uses a thin parasitic strip to realize beam deflection, which facilitates switchable beam. The beam deflection effect of the parasitic strip can be explained by using characteristic mode analysis (CMA). Specifically, the parasitic strip introduces a new mode that interacts with a
This two-part paper investigates the application of artificial intelligence (AI) and in particular machine learning (ML) to the study of wireless propagation channels. In Part I, we introduced AI and ML as well as provided a comprehensive survey on ML enabled channel characterization and antenna-channel optimization, and in this part (Part II) we review state-of-the-art literature on scenario iden
To provide higher data rates, as well as better coverage, cost efficiency, security, adaptability, and scalability, the 5G and beyond 5G networks are developed with various artificial intelligence techniques. In this two-part paper, we investigatethe application of artificial intelligence (AI) and in particular machine learning (ML) to the study of wireless propagation channels. It firstly provides a
Processes controlling environmental change in the subarctic Pacific Ocean on millennial to orbital timescales are not well understood. Here we use a 230-kyr sedimentary record from the northwest Pacific Ocean to assess the response of late Pleistocene sediment dynamics to orbital forcing. Combining a source-to-sink perspective based on sedimentological records with climate model reanalysis, we rev
Intrinsically disordered proteins are involved in many biological processes such as signaling, regulation, and recognition. A common strategy to regulate their function is through phosphorylation, as it can induce changes in conformation, dynamics, and interactions with binding partners. Although phosphorylated intrinsically disordered proteins have received increased attention in recent years, a
Autonomous vehicle is being developed for widespread deployment. Its reliability and safety are critically dependent on advanced wireless technologies, e.g., vehicle-to-everything (V2X) communication. The frontend of a V2X system needs an antenna module that enables the vehicle to reliably connect to all other networks. Designing V2X antenna is challenging due to the complex in-vehicle environment
This paper sets up a framework for designing a massive multiple-input multiple-output (MIMO) testbed by investigating hardware and system-level requirements such as processing complexity, duplexing mode and frame structure. Taking these into account, a generic system and processing partitioning is proposed which allows flexible scaling and processing distribution onto a multitude of physically sep
