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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

Co-designed 3+3 port dual-band broadside tri-modal patch antenna

A co-designed (3+3)-port antenna for dual-band operation that requires no feeding or decoupling network is proposed and verified. The antenna consists of six ports which are divided into two groups that resonate in two differentfrequency ranges. The basic radiating element is a tri-modal patch in a folded snowflake-shaped structure with the largest antenna dimension of 0.48λ1 or 0.68λ2, where λ1 and

A suggestion for the quantification of precise and bounded probability to quantify epistemic uncertainty in scientific assessments

An honest communication of uncertainty about quantities of interest enhances transparency in scientific assessments. To support this communication, risk assessors should choose appropriate ways to evaluate and characterize epistemic uncertainty. A full treatment of uncertainty requires methods that distinguish aleatory from epistemic uncertainty. Quantitative expressions for epistemic uncertainty

Molecular and Morphological Characteristics of the De-Obstructed Rat Urinary Bladder—An Update

Many patients with outlet obstruction secondary to prostatic enlargement have lower urinary tract symptoms (LUTSs) and an increased frequency of micturition. The standard treatment is transurethral resection of the prostate (TURP), which alleviates obstruction and symptoms. However, after TURP, 20–40 percent of patients continue to experience LUTSs. The aim of the present study in rats was to iden

A survey of robot manipulation in contact

In this survey, we present the current status on robots performing manipulation tasks that require varying contact with the environment, such that the robot must either implicitly or explicitly control the contact force with the environment to complete the task. Robots can perform more and more manipulation tasks that are still done by humans, and there is a growing number of publications on the t

A Workplace Equality Workshop for the Control Engineering Classroom

Engineering, in general, is a non-diverse profession around the globe. Women are one group of minorities in engineering. Despite the fact that control engineering is heavily based on mathematics, which has a larger number of female students, it has the same proportion of women as other engineering disciplines. To address the issue of low female participation in engineering disciplines both at univ

Folding lattice proteins with quantum annealing

Quantum annealing is a promising approach for obtaining good approximate solutions to difficult optimization problems. Folding a protein sequence into its minimum-energy structure represents such a problem. For testing new algorithms and technologies for this task, the minimal lattice-based [hydrophobic (H) or polar (P) beads] HP model is well suited, as it represents a considerable challenge desp

Generalized Urban Traffic Surveillance (GUTS) : World-Coordinate Tracking for Traffic Safety Applications

We present a new world-coordinate tracking algorithm for road users seen from static surveillance cameras, denoted GUTS. It is based upon the previously published UTS method but simplifies and replaces parts allowing association logic to work in world coordinates, by using a novel convolutional neural network denoted SAMHNet to convert every detection into world coordinates. Experimental evaluatio

Control-Theoretical Perspective in Feedback-Based Systems Testing

Self-Adaptive Systems (SAS) and Cyber-Physical Systems (CPS) have received significant attention in recent computer engineering research. This is due to their ability to improve the level of autonomy of engineering artefacts. In both cases, this autonomy increase is achieved through feedback. Feedback is the iteration of sens- ing and actuation to respectively acquire knowledge about the current s

Automatic Differentiation over Fluid Models for Holistic Load Balancing

Microservice applications consist of a set of smaller services interacting in a graph structure to deliver the full application. Jobs will traverse this graph in different paths, both depending on the type of job, but also on the current load of different service replicas. Different paths will incur different scenario-specific costs, dependent on, e.g., deployment and the underlying cloud system.

Adaptive Control of Data Center Cooling using Deep Reinforcement Learning

In this paper, we explore the use of Reinforcement Learning (RL) to improve the control of cooling equipment in Data Centers (DCs). DCs are inherently complex systems, and thus challenging to model from first principles. Machine learning offers a way to address this by instead training a model to capture the thermal dynamics of a DC. In RL, an agent learns to control a system through trial-and-err

Efficient and Flexible First-Order Optimization Algorithms

Optimization problems occur in many areas in science and engineering. When the optimization problem at hand is of large-scale, the computational cost of the optimization algorithm is a main concern. First-order optimization algorithms—in which updates are performed using only gradient or subgradient of the objective function—have low per-iteration computational cost, which make them suitable for t

RESPECT the UNSTABLE : DELAYS and SATURATION in CONTACT TRACING for DISEASE CONTROL

Motivated by the novel coronavirus disease (COVID-19) pandemic, this paper aims to apply Gunter Stein's cautionary message of respecting the unstable to the problem of controlling the spread of an infectious disease. With this goal, we study the effect that delays and capacity constraints have in the test, trace, and isolate (TeTrIs) process, and how they impact its ability to prevent exponential

Osteomodulin attenuates smooth muscle cell osteogenic transition in vascular calcification

RATIONALE: Vascular calcification is a prominent feature of late-stage diabetes, renal and cardiovascular disease (CVD), and has been linked to adverse events. Recent studies in patients reported that plasma levels of osteomodulin (OMD), a proteoglycan involved in bone mineralisation, associate with diabetes and CVD. We hypothesised that OMD could be implicated in these diseases via vascular calci

An Auditable Constraint Programming Solver

We describe the design and implementation of a new constraint programming solver that can produce an auditable record of what problem was solved and how the solution was reached. As well as a solution, this solver provides an independently verifiable proof log demonstrating that the solution is correct. This proof log uses the VeriPB proof system, which is based upon cutting planes reasoning with