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

أن التطور العلمي الحاصل فيما يخص المجال الرياضي أرسى آفاق جديدة لمواكبة التطور الكبير في مجا ل الألعاب والفعاليات الرياضية المختلفة ,و أن تحقيق النتائج الجيدة في فعاليات العاب القوى بشكل عام والثلاثية بشكل خاص في التدريب الرياضي يتطلب إتباع الأساليب العلمية الدقيقة والموضوعية بشكل سليم ومخطط له،فضلا عنة تطبيق نظريات ومنحى جديد لمواكبة الاتجاهات الحديثة في تحقيق النتائج الجيدة للوصول إلى المستويات العالية

O estudo destaca a necessidade crítica de se focar nas capacidades físicas, motoras e técnicas das jogadoras de esgrima, desenvolvendo e testando metodologias de treino modernas, baseadas na ciência, adaptadas às exigências específicas do desporto. O objetivo do estudo foi avaliar a eficácia do treino tridimensional visando melhorar as capacidades motoras e o desempenho técnico dos participantes. Recorrendo a um desenho experimental, o estudo envolveu a formação de grupos experimentais e de controlo. A amostra incluiu 16 esgrimistas da Faculdade Feminina de Educação Física e Ciências do Desporto. Após a exclusão de dois jogadores durante a fase exploratória, os restantes 14 foram divididos igualmente em grupos experimental

In this research, the effect of each of the concentrations ( Nd⁺³) was studied (N) the thickness of the thin disk (d) the number of times that the pumping beam passes through the effective medium of this laser (M_p) the reflectivity of the laser output mirror (R ₂₎ The losses of the effective medium (L) and the pumping power used in achieving the reverse qualification (P_P) on each of the pumping threshold capacities (P_p.th) and the output power of the laser (P_out) and the efficiency (ŋ) in Nd³⁺ thin-disk lasers (TDLs) pumping quasi-three-level With continuous operation (cw), at room temperature, and in the Gaussian mode (TEM00),

We found under these opera

In this research, we built a program to assess Weibull parameters and wind power of three separate locations in Iraq: Baghdad, Basrah and Dhi-qar for two years 2009 and 2010, after collecting and setting the data available from the website "Weather Under Ground" for each of the stations Baghdad, Basrah and Dhi-qar. Weibull parameters (shape parameter and scale parameter) were estimated using maximum likelihood estimation method (MLE) and least squares method (LSM). Also, the annual wind speed frequencies were calculated noting speed most readily available through the above two years. Then, we plotted Weibull distribution function and calculate the most significant quantities represented by mean wind speed, standard deviation of the value

The aim of this paper is to construct cyclic subgroups of the projective general linear group over  from the companion matrix, and then form caps of various degrees in . Geometric properties of these caps as secant distributions and index distributions are given and determined if they are complete. Also, partitioned of  into disjoint lines is discussed.

Objectives: To find out the effect of l-hydroxyphenazine (1-HP) on viability of T-lymphocytes and the reflects of this
effect on experimental hyadatidosis on hydatid cyst protoscoleces infectivity in vivo.
Methodology: Four groups of white male /ه/mice were experimentally infected with four concentrations of (1-HP)
with challenge dose of 2000 protoscoleces /1 ml with negative (9.8.5) and positive (P.H.A) control groups.
Results: It has been found that the higher concentrations (75,100) 1101/111 of the (1-HP) causes significant
decrement in the lymphocytes viability in comparison with negative and positive control groups. (060.01).
Recommendations: The study recommended using concentrations lower than 25 pmole Iml which

     Watermelon has been reported to be vulnerable to insect pest pressure throughout its growth stages with a resultant indiscriminate calendar-based insecticide application (of up to 25 sprays/season in the study area), with its attendant consequences. In order to recommend the crop growth period(s) to effect chemical control measures that will give better return on investment, field trials were set-up in the early- and late-cropping seasons of 2016 and 2017. Forty, 5m long x 8m wide plots were demarcated in randomized complete block design in 4 replications. Treatments were applications of 0.5% Cyper-diforce^® (Cypermethrin 30g/L + Dimethoate 250g/L) at seedling, mid-vegetative, mid-flowering, mid-frui

A thin film of AgInSe2 and Ag1-xCuxInSe2 as well as n-Ag1-xCuxInSe2 /p-Si heterojunction with different Cu ratios (0, 0.1, 0.2) has been successfully fabricated by thermal evaporation method as absorbent layer with thickness about 700 nm and ZnTe as window layer with thickness about 100 nm. We made a multi-layer of p-ZnTe/n-AgCuInSe2/p-Si structures, In the present work, the conversion efficiency (η) increased when added the Cu and when used p-ZnTe as a window layer (WL) the bandgap energy of the direct transition decreases from 1.75 eV (Cu=0.0) to 1.48 eV (Cu=0.2 nm) and the bandgap energy for ZnTe=2.35 eV. The measurements of the electrical properties for prepared films showed that the D.C electrical conductivity (σd.c) increase