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 intelligent buildings provided various incentives to get highly inefficient energy-saving caused by the non-stationary building environments. In the presence of such dynamic excitation with higher levels of nonlinearity and coupling effect of temperature and humidity, the HVAC system transitions from underdamped to overdamped indoor conditions. This led to the promotion of highly inefficient energy use and fluctuating indoor thermal comfort. To address these concerns, this study develops a novel framework based on deep clustering of lagrangian trajectories for multi-task learning (DCLTML) and adding a pre-cooling coil in the air handling unit (AHU) to alleviate a coupling issue. The proposed DCLTML exhibits great overall control and is

Background/Objectives: Early and accurate discrimination of neurological conditions, dementia, stroke and healthy aging, remains a critical clinical challenge. Electroencephalography (EEG) is a non-invasive measure of brain dynamics and entropy-based features obtained from multichannel EEG have shown strong discriminative ability. However, existing deep learning approaches do not sufficiently address the combined challenges of small clinical cohorts and high-dimensional entropy feature spaces. In this study, a novel architecture is proposed for multi-class neurological EEG classification under extreme small-sample conditions. Methods: A novel dual-branch Channel-wise Transformer and Attention-Branch Network (EEG-ChTABNet) are pr to

            The objective of this study is to measure the impact of financial development on economic growth in Iraq over the period (2004-2018) by applying a fully corrected square model (FMOLS) Whereas, a set of variables represented by (credit-to-private ratio of GDP, the ratio of money supply in the broad sense of GDP, percentage of bank deposits from GDP) were chosen as indicators for measuring financial development and GDP to measure economic growth.

Major tests have been carried out, such as the stability test (Unite Root Test), the integration test (Cointegration). Results of the study showed that there

This paper proposes a hybrid artificial intelligence (AI) model that combines an Artificial Neural Network (ANN) and Particle Swarm Optimization (PSO) to predict the Quality of Service (QoS) in 5G networks. The model utilizes radio channel indicators such as Reference Signal Received Power (RSRP), Reference Signal Received Quality (RSRQ), Received Signal Strength Indicator (RSSI), and Channel Quality Indicator (CQI) to forecast throughput and latency levels. These indicators are critical factors affecting network performance; however, the nonlinear relationship among them makes traditional analytical models inadequate for accurate QoS prediction. The importance of the current study lies in estimating QoS in 5G networks by combining