Flexible molecular docking is a computational method of structure-based drug design to evaluate binding interactions between receptor and ligand and identify the ligand conformation within the receptor pocket. Currently, various molecular docking programs are extensively applied; therefore, realizing accuracy and performance of the various docking programs could have a significant value. In this comparative study, the performance and accuracy of three widely used non-commercial docking software (AutoDock Vina, 1-Click Docking, and UCSF DOCK) was evaluated through investigations of the predicted binding affinity and binding conformation of the same set of small molecules (HIV-1 protease inhibitors) and a protein target HIV-1 protease enzy
... Show MoreThe numerical resolve nonlinear system of Volterra integral equation of the second kind (NLSVIEK2) has been considered. The exponential function is used as the base function of the collocation method to approximate the resolve of the problem. Arithmetic epitome are performed which have already been solved by weighted residual manner, Taylor manner and block- by- block(2, 3, 5).
This study aims to find the effect of water-cement ratio on the compressive strength of concrete by using ultrasonic pulse velocity test (UPVT). Over 230 standard cube specimens were used in this study, with dimensions of 150mm, and concrete cubes were cured in water at 20 °C. Also, the specimens used in the study were made of concrete with varied water-cement ratio contents from 0.48 to 0.59. The specimens were taken from Diyarbakir-Turkey concrete centers and tested at the structure and material science lab, civil engineering, faculty of engineering from Dicle University. The UPV measurement and compressive strength tests were carried out at the concrete age of 28 days. Their UPV and compressive strength ranged
... Show MoreThe study aimed to evaluate educational programs efficiency in applying the best educational practices to educate students from the dangers of indecent behaviors, in line with higher education policy and the appropriateness of educational program dimensions to spread awareness among students to not fall into the indecent behaviors clutches. The study adopted the inductive exploratory approach through structural equation modeling and the descriptive analysis of the collected data from randomly selected sample (n=385) from educational academics at Northern Border University in the Saudi Arabia using a specially designed survey tool to meet study purposes to evaluate dimensions of teaching methods, evaluation tools, training courses, course
... Show MoreVolumetric Modulated Arc Therapy (VMAT) and Intensity Modulated Radiation Therapy (IMRT) are comparable for nasopharyngeal cancerous radiation therapy. This research intends to analyze the high-quality plan using accomplishment, conformance, and homogeneity criteria.
The study involved 40 patients with a postnasal cancerous tumor. The patients underwent computed tomography (CT) simulation to scan the anatomical details of the patients' heads. Then, their data was forwarded to the treatment planning system (TPS) workstation for IMRT and VMAT planning. The plans were evaluated using the IOA, HI, and CI indices.
The nasopharynx coverage results consist of the GTV and PTV at 95%. The statistical study reveals that VMAT provides
... Show MoreThe accurate extracting, studying, and analyzing of drainage basin morphometric aspects is important for the accurate determination of environmental factors that formed them, such as climate, tectonic activity, region lithology, and land covering vegetation.
This work was divided into three stages; the 1st stage was delineation of the Al-Abiadh basin borders using a new approach that depends on three-dimensional modeling of the studied region and a drainage network pattern extraction using (Shuttle Radar Topographic Mission) data, the 2nd was the classification of the Al-Abiadh basin streams according to their shape and widenings, and the 3rd was ex
... Show MoreIn this paper, the problem of resource allocation at Al-Raji Company for soft drinks and juices was studied. The company produces several types of tasks to produce juices and soft drinks, which need machines to accomplish these tasks, as it has 6 machines that want to allocate to 4 different tasks to accomplish these tasks. The machines assigned to each task are subject to failure, as these machines are repaired to participate again in the production process. From past records of the company, the probability of failure machines at each task was calculated depending on company data information. Also, the time required for each machine to complete each task was recorded. The aim of this paper is to determine the minimum expected ti
... Show MoreThe 3-parameter Weibull distribution is used as a model for failure since this distribution is proper when the failure rate somewhat high in starting operation and these rates will be decreased with increasing time .
In practical side a comparison was made between (Shrinkage and Maximum likelihood) Estimators for parameter and reliability function using simulation , we conclude that the Shrinkage estimators for parameters are better than maximum likelihood estimators but the maximum likelihood estimator for reliability function is the better using statistical measures (MAPE)and (MSE) and for different sample sizes.
Note:- ns : small sample ; nm=median sample
... Show MoreThis paper investigates a new approach to the rapid control of an upper limb exoskeleton actuator. We used a mathematical model and motion measurements of a human arm to estimate joint torque as a means to control the exoskeleton’s actuator. The proposed arm model is based on a two-pendulum configuration and is used to obtain instantaneous joint torques which are then passed into control law to regulate the actuator torque. Nine subjects volunteered to take part in the experimental protocol, in which inertial measurement units (IMUs) and a digital goniometer were used to measure and estimate the torque profiles. To validate the control law, a Simscape model was developed to simulate the arm model and control law in which measurem
... Show MoreRapid breakdown anodization (RBA) process was used to fabricate TiO2 sensor to measure pressure and humidity and sense gases at room temperature. This chemical process transformed Ti to its oxide (TiO2) as a powder with amorphous phase as X ray diffraction (XRD) technique confirmed. This oxide consisted from semi spherical nanoparticles and titania nanotubes (TNTs) as Scanning electron microscope (SEM) technique showed. TiO2 powder was deposited on Ti substrates by using electrophoretic deposition (EPD) method. Average pressure sensitivity was 0.34 MΩ/bar and hysteresis area was 1.4 MΩ .bar. Resistance of TiO2 decreased exponentially with the increasing of relative
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