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PED in 2021 : A major update of the protein ensemble database for intrinsically disordered proteins

The Protein Ensemble Database (PED) (https://proteinensemble.org), which holds structural ensembles of intrinsically disordered proteins (IDPs), has been significantly updated and upgraded since its last release in 2016. The new version, PED 4.0, has been completely redesigned and reimplemented with cutting-edge technology and now holds about six times more data (162 versus 24 entries and 242 vers

Molecular dynamics simulations of phosphorylated intrinsically disordered proteins : A force field comparison

Phosphorylation is a common post-translational modification among intrinsically disordered proteins and regions, which helps regulate function by changing the protein conformations, dynamics, and interactions with binding partners. To fully comprehend the effects of phospho-rylation, computer simulations are a helpful tool, although they are dependent on the accuracy of the force field used. Here,

Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity

Five peptides previously suggested to possess polyproline II (PPII) structure have here been investigated by using atomistic molecular dynamics simulations to compare how well four different force fields known for simulating intrinsically disordered proteins relatively well (Amber ff99SB-disp, Amber ff99SB-ILDN, CHARM36IDPSFF, and CHARMM36m) can capture this secondary structure element. The result

On user effects of a low-profile MIMO terminal antenna with wideband multimodal excitation

When in use, a mobile terminal is often held in the hand by the user. However, conventionally terminal antennas are only evaluated in free space, disregarding the effects of user interaction. In this paper, the performance of a low-profile twoport multiple-input multiple-output (MIMO) antenna that offers wide symmetrical bandwidth and low correlation in free space is investigated in presence of a

Machine-Learning Approach to Non-Destructive Biomass and Relative Growth Rate Estimation in Aeroponic Cultivation

We train and compare the performance of two machine learning methods, a multi-variate regression network and a ResNet-50-based neural network, to learn and forecast plant biomass as well as the relative growth rate from a short sequence of temporal images from plants in aeroponic cultivation. The training dataset consists of images of 57 plants taken from two different angles every hour during a 5

Yield Prediction for Winter Wheat with Machine Learning Models Using Sentinel-1, Topography, and Weather Data

We train and compare the performance of two different machine learning algorithms to learn changes in winter wheat production for fields from the southwest of Sweden. As input to these algorithms, we use cloud-penetrating Sentinel-1 polarimetry radar data together with respective field topography and local weather over four different years. We note that all of the input data were freely available.

Partially calibrated semi-generalized pose from hybrid point correspondences

We study the problem of estimating the semi-generalized pose of a partially calibrated camera, i.e., the pose of a perspective camera with unknown focal length w.r.t. a generalized camera, from a hybrid set of 2D-2D and 2D-3D point correspondences. We study all possible camera configurations within the generalized camera system. To derive practical solvers to previously unsolved challenging config

Extending Microservice Model Validity using Universal Differential Equations

When creating models of a system, there is always a tradeoff between the ease of modelling a part and the increased value it brings to the model. Learning a model using machine learning instead, we are able to capture all kinds of things we don't necessarily understand, but can need large amounts of data to learn even the things we find simple. Using universal differential equations we can combine

On Hydraulic Constraints in Control of District Heating Systems

District heating systems make an important puzzle piece in the energy system of both today and tomorrow. When designing, simulating and controlling these systems, hydraulics play a vital role. The pressure generated by pumps has to drive sufficient flow throughout the system to satisfy the requirements of customers. Ensuring that the system is sufficiently pressurized is a challenging task already

Closed-loop combustion phase control for multiple combustion modes by multiple injections in a compression ignition engine fueled by gasoline-diesel mixture

Partially premixed combustion with low octane fuel aims to reduce NOx and soot emission simultaneously without fuel consumption penalty. Cylinder pressure based combustion phase control is an essential technology for partially premixed combustion. A novel closed-loop combustion phase control strategy for multiple combustion modes is proposed in the current study. The combustion modes are classifie

Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance

The direct reaction between carbohydrates and CO2 has recently attracted attention in the context of cellulose dissolution and derivatization as well as carbon capture applications. We have directly demonstrated the formation of cellulose carbonate upon the introduction of CO2 into a non-aqueous cellulose solution by nuclear magnetic resonance spectroscopy. Comparison of the observed spectra with

Characteristic modes – progress, overview, and emerging topics

Over the past decade, characteristic mode analysis (CMA) research has grown from a niche topic to a mainstream topic, warranting a tutorial-style special issue to survey the significant progress that has been made in this field. In thisintroductory article (PAPER 1), the focus is on providing the big picture. We start with a simple description of characteristic modes. Next, we examine the trends in

A low-profile wideband dual-resonance tri-port MIMO antenna

A low-profile wideband tri-polarized MIMO antenna is proposed in this paper. Based on characteristic mode analysis of a circular patch, four slots are etched symmetrically on the patch to transform the high-order monopole-like modes into broadside modes with lower resonant frequencies. Four sets of shorting pins are also applied to simultaneously adjust the resonant frequencies of the monopole-lik

The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions

Intrinsically disordered proteins (IDP) are proteins that sample a heterogeneous ensemble of conformers in solution. An estimated 25-30% of all eukaryotic proteins belong to this class. In vivo, IDPs function under conditions that are highly crowded by other biological macromolecules. Previous research has highlighted that the presence of crowding agents can influence the conformational ensemble s

Simulating the mid-holocene, last interglacial and mid-pliocene climate with ec-earth3-lr

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

Millimeter-Wave Massive MIMO Testbed with Hybrid Beamforming

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

Self-Interactions of Two Monoclonal Antibodies : Small-Angle X-ray Scattering, Light Scattering, and Coarse-Grained Modeling

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

Virtual cell model for osmotic pressure calculation of charged biomolecules

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

Combustion sensitivity to the nozzle hole size in an active pre-chamber ultra-lean heavy-duty natural gas engine

Active pre-chamber configurations are considered a valuable solution for improving the operation of the internal combustion engine, in the view to overcome the many challenges it has been made to face. Combining this technology with the use of natural gas, a fuel that has increasing availability and interest in the market share, it is possible to burn ultra-lean mixtures (with air-to-fuel ratios,

6G Wireless Systems: Vision, Requirements, Challenges, Insights, and Opportunities

Mobile communications have been undergoing a generational change every ten years or so. However, the time difference between the so-called "G's" is also decreasing. While fifth-generation (5G) systems are becoming a commercial reality, there is already significant interest in systems beyond 5G, which we refer to as the sixth-generation (6G) of wireless systems. In contrast to the already published