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 current study was built on creating four electrodes based on molecularly imprinted polymers (MIPs). As the template using Cefalexin (CFX), 1-vinyl imidazole (VIZ) and vinyl acetate (VA) as monomer, and N, N-methylene bis acrylamide (MBAA) as cross-linkers and benzoyl peroxide as the initiator, two MIPs were prepared. The same composition was used in non-impressed polymers (NIPs) preparation, but without the template (Cefalexin). For the membranes preparation, numerous plasticizers, such as tri-oly phosphate (TOP) and di-octyl phthalate (DOP), were used in the PVC matrix, slop, detection limit, lifetime, and linearity range of CFX-MIPs electrodes are characteristics &nb

An analytical approach based on field data was used to determine the strength capacity of large diameter bored type piles. Also the deformations and settlements were evaluated for both vertical and lateral loadings. The analytical predictions are compared to field data obtained from a proto-type test pile used at Tharthar –Tigris canal Bridge. They were found to be with acceptable agreement of 12% deviation.

               Following ASTM standards D1143M-07e1,2010, a test schedule of five loading cycles were proposed for vertical loads and series of cyclic loads to simulate horizontal loading .The load test results and analytical data of 1.95

     In this study, gamma ray transmission method have been used to determine the total porosity in four samples: pure Alumina  ( Al₂O₃   ),  Al₂O₃ + (0.2wt%)MgO ,  Al₂O₃ + (0.6wt% )Y₂O₃  and Al₂O₃+ (8wt% ) ZrO₂ .

      The experimental setup for the gamma ray transmission consist of ¹³⁷Cs gamma source ( 662 KeV  ), a  NaI (Tl) scintillation detector measured the attenuation of strongly collimated  gamma beam through alumina samples.

The porosity obtained by the gamma ray transmission method were compare

An application of neural network technique was introduced in modeling the point efficiency of sieve tray, based on a
data bank of around 33l data points collected from the open literature.Two models proposed,using back-propagation
algorithm, the first model network consists: volumetric liquid flow rate (QL), F foctor for gas (FS), liquid density (pL),
gas density (pg), liquid viscosity (pL), gas viscosity (pg), hole diameter (dH), weir height (hw), pressure (P) and surface
tension between liquid phase and gas phase (o). In the second network, there are six parameters as dimensionless
group: Flowfactor (F), Reynolds number for liquid (ReL), Reynolds number for gas through hole (Reg), ratio of weir
height to hole diqmeter

The analysis and efficiency of phenol extraction from the industrial water using different solvents, were investigated. To our knowledge, the experimental information available in the literature for liquid-liquid equilibria of ternary mixtures containing the pair phenol-water is limited. Therefore the purpose of the present investigation is to generate the data for the water-phenol with different solvents to aid the correlation of liquid-liquid equilibria, including phase diagrams, distribution coefficients of phenol, tie-lines data and selectivity of the solvents for the aqueous phenol system.

                The ternary equilibrium diagrams and tie-lines