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

The chemical bath deposition technique (CBD) is considered the cheapest and easiest compared with other deposition techniques. However, it is highly sensitive to effective parameter deposition values such as pH, temperature, and so on. The pH value of the reaction solution has a direct impact on both the nucleation and growth rate of the film. Consequently, this study presents a novel investigation into the effect of a precise change. in the pH reaction solution value on the structural, morphological, and photoresponse characteristics of tin monosulphide (SnS) films. The films were grown on a flexible polyester substrate with pH values of 7.1, 7.4, and 7.7. The X-ray diffraction patterns of the grown films at pH 7.1 and 7.4 confirmed

In the present study, the effect of new cross-section fin geometries on overall thermal/fluid performance had been investigated. The cross-section included the base original geometry of (triangular, square, circular, and elliptical pin fins) by adding exterior extra fins along the sides of the origin fins. The present extra fins include rectangular extra fin of 2 mm (height) and 4 mm (width) and triangular extra fin of 2 mm (base) 4 mm (height). The use of entropy generation minimization method (EGM) allows the combined effect of thermal resistance and pressure drop to be assessed through the simultaneous interaction with the heat sink. A general dimensionless expression for the entropy generation rate is obtained by con

The flat-headed borer, Capnodis tenebrionis  (Linnaeus, 1760) , dispersed extensively in various geographical regions; it is extremely harmful and a dire threat to most stone fruit cultivars, and once the larva enters under the host tree crown, the infested host tree will gradually dry and eventually die. In this study, specimens were collected from several sites in Erbil province, Kurdistan Region- Iraq; then the fully grown larvae were selected for morphological study. In addition, clarification of morphological consequential and implication for most diagnostic characters were studied in all dissected parts. Scanning electron microscope (SEM) was used to further analyze the hidden features of the selected characteristics;

 In this work silicon solar cell has been used with semicircular grooves to improve its efficiency by reducing reflection of rays and increasing optical path through the cell. Software program for optical design (zemax) has been used by ray tracing mode to evaluate prototype efficiency when using detector beneath the cell. The prototype has aspect ratio (A.R=0.2) which is the best efficiency at incident angle (Ï´=0ͦ) and the best acceptance angle (Ï´=50ͦ). 

Background: Fluoridated acrylic resin material can present more stable properties when compared with conventional one.The most widely used fluoride –containing substance added to dental resin materials is sodium fluoride (Naf). This study evaluated the effect of Naf in different concentration to the acrylic resin denture base material and its effect on tensile strength ,modules of elasticity with long –term water immersion (after 4 months immersion in de-ionized water) Materials and methods: Eighty specimens from dumbbells shaped metal pattern for tensile strength test were preparedaccording to ISO 527: 1993 plastic –Determination tensile properties ,in dimensions(60mm, 12mm, 3 ± 0.2mm) length, width and depth respec

       Studies were conducted to evaluate the biological effects of the non-steroidal ecdysone agonist (Methoxyfenozide), on different developmental larval stages of cotton leafworm Spodoptera littoralis (Boisd.) in the laboratory. The results showed that the early larval stages were the most  susceptible to Methoxyfenozide which caused 100% mortality within 4-6 days after treatment at all used concentrations, while such percentage of mortality was achieved within 6 days after treatment for late larval stages when the highest concentration was used (0.2)g (ai) /L. Several morphological deformations were noticed on pupal stage, the results showed that the highest percentage of deformations was 1

Background: The best material for dental implants is polyetherketoneketone (PEKK). However, this substance is neither osteoinductive nor osteoconductive, preventing direct bone apposition. Modifying the PEKK with bioactive elements like strontium hydroxyapatite is one method to overcome this (Sr-HA). Due to the technique's capacity to provide better control over the coating's properties, RF magnetron sputtering has been found to be a particularly useful technique for deposition.

Materials and methods : With specific sputtering conditions, the RF magnetron technique was employed to provide a homogeneous and thin coating on Polyetherketoneketone substrates.. the coatings were characterized by Contact angle, adhesion test, X-ray dif