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

This investigation aims to explore the potential of waterworks sludge (WS), low-cost byproduct of water treatment processes, as a sorbent for removing Congo Red (CR) dyes. This will be achieved by precipitating nano-sized (MgAl-LDH)-layered double hydroxide onto the surface of the sludge. The efficiency of utilizing MgAl-LDH to modify waterworks sludge (MWS) for use in permeable reactive barrier technology was confirmed through analysis with Fourier transform infrared and X-ray diffraction. The isotherm model was employed to elucidate the adsorption mechanisms involved in the process. Furthermore, the COMSOL model was utilized to establish a continuous testing model for the analysis of contaminant transport under diverse conditions. A st

A total of 30 specimens of house sparrow Passer domesticus biblicus Hartert, 1904 (15 females and 15 males) were collected from gardens of some houses in Baghdad city; all birds were dissected to identify the parasites in vesicle, gizzard, intestine, gall bladder and caecum. One species of trematodes Brachydistomum microscelis (Yamaguti, 1933) was found in the gall bladder and two species of cestodes Anonchotaenia globata (von Linstow, 1879) and Raillietina tetragona (Molin, 1858) were found in the small intestine of house sparrow. Morphologic and morphometric measurements were considered.

   The genus Brachydistomum Travassos, 1944 is being recorded for the first time in Iraq in the gall bladder of house sparr

    A faunistic review of the genus Chaitophorus Koch, 1854, including four species in Iraq is given; the distribution data of each species and their hosts have been recorded. In this investigation the poplar leaf aphid Ch. populialbae (Boyer de Fonscolombe, 1841) is recorded here for the first time in Iraq on popular trees Populus euphratica Oliv. during the period from November 2016 to April 2017 in Baghdad province.

    A brief description for apterous viviparous female of this species is given; and a  key to the species of the genus Chaitophorus is constricted.

University campuses in Iraq are substantial energy consumers, with consumption increasing significantly during periods of high temperatures, underscoring the necessity to enhance their energy performance. Energy simulation tools offer valuable insights into evaluating and improving the energy efficiency of buildings. This study focuses on simulating passive architectural design for three selected buildings at Al-Khwarizmi College of Engineering (AKCOE) to examine the effectiveness of their cooling systems. DesignBuilder software was employed, and climatic data for a year in Baghdad was collected to assess the influence of passive architectural strategies on the thermal performance of the targeted buildings. The simulations revealed that the

This study presents, for the first time, an innovative Jet Plasma-assisted technique for the green synthesis of TiO₂@Ag core–shell nanoparticles using chard leaf extract as a natural reducing and stabilizing agent. The Jet Plasma provides a highly energetic environment that accelerates nucleation and core–shell formation at low temperatures without toxic precursors. The synthesized nanoparticles exhibited uniform and stable structures, as confirmed by comprehensive characterization techniques including X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), ultraviolet–visible (UV–Vis) spectroscopy, transmission electron microscopy (TEM), and zeta potential analysis. XRD patterns confirmed the crystalline anatase