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

Background This study aimed to evaluate the efficacy of once-daily liraglutide as an add-on to oral antidiabetics (OADs) on glycemic control and body weight in obese patients with inadequately controlled type 2 diabetes (T2D). Methods A total of 27 obese T2D patients who received 7 months (0.6 mg/day for the first month, 1.2 mg/day for 3 months, and 1.8 mg/day for 3 months) of liraglutide treatment as an add-on to OADs were included. Data on body weight (kg), fasting plasma glucose (FPG, mg/dL), postprandial glucose (PPG, mg/dL), and HbA1c (%), were recorded. Results Liraglutide doses of 1.2 mg/day and 1.8 mg/day were associated with significant decreases in body weight (by 8.0% and 11.9%, respectively, p < 0.01 for each) and HbA1c (by 20.0

High tunnels, or unheated plastic greenhouses, are becoming increasingly popular among organic vegetable growers across the United States. However, the intensive production typical of these systems presents soil health challenges, including salinization due to high fertilizer or compost inputs coupled with lack of rainfall to leach salts. Legume cover crops may improve soil health in high tunnels by reducing the need for external inputs, while adding organic matter. We tested the soil health effects of a winter hairy vetch (Vicia villosa Roth) cover crop used to replace fertilizer N in an organic tomato cropping system in high tunnels. Studies were replicated across three sites differing in climate and soil type (Kansas, Kentucky, and Minne

Exposure of reinforced concrete buildings to an accidental fire may result in cracking and loss in the bearing capacity of their major components, columns, beams, and slabs. It is a challenge for structural engineers to develop efficient retrofitting techniques that enable RC slabs to restore their structural integrity, after being exposed to intense fires for a long period of time. Experimental
investigation was carried out on twenty one slab specimens made of self compacting concrete, eighteen of them are retrofitted with CFRP sheets after burning and loading till failure while three of them (which represent control specimens) are retrofitted with CFRP sheet after loading till failure without burning. All slabs had been tested in a

In this study, we introduce new a nanocomposite of functionalize graphene oxide FGO and functionalize multi wall carbon nanotube (F-MWCNT-FGO).The formation of nanocomposite was confirmed by FT-IR ,XRD and SEM. The magnitude of the dielectric permittivity of the (F-MWCNT-FGO) nanocomposite appears to be very high in the low frequency range and show a unique negative permittivity at frequencies range from 400 Hz to 4000Hz. The ac conductivity of nanocomposite reaches 23.8 S.m-1 at 100Hz.

This work analyzes the effectiveness of an artificial intelligence (AI) community- building workshop designed for high school teachers and it focuses on contemporary issues related to AI concepts and applications. A group of high school teachers from local education districts attended a one-day AI hands-on workshop at our university. The workshop included several AI-related topics and hands-on examples and exercises aiming to introduce AI concepts and tools relevant to pre-college education. The participating teachers were expected to become a part of a collaborative network created to design, develop, and implement novel AI learning modules for high school students. Initial and a post-training surveys have been used to measure the

Diode laser technology is well established for biomedicine applications which demand high-power pulse-wave. They are extensively utilized from medical imaging and testing to surgical therapies and the latest aesthetic processes. For medical therapeutic practices, diode lasers have become the ideal laser source for this particular purpose. In the last previous years, semiconductor laser technology has evolved to produce high-repetitions rate near-infrared pulsed lasers diodes that are dependable, low-cost, portable, and small-weight, about few grams. In this paper, we review the recent development and demonstration of diode laser devices for biomedical applications recorded in the latest years taking into account the power, wavelength, and p

Orthophoto provides a significant alternative capability for the presentation of architectural or archaeological applications. Although orthophoto production from airphotography of high or lower altitudes is considered to be typical, the close range applications for the large-scale survey of statue or art masterpiece or any kind of monuments still contain a lot of interesting issues to be investigated.

In this paper a test was carried out for the production of large scale orthophoto of highly curved surface, using a statue constructed of some kind of stones. In this test we use stereo photographs to produce the orthophoto in stead of single photo and DTM, by applying the DLT mathematical relationship as base formula in differenti