Big data technologies have proliferated since the dawn of the cloud-computing era.
Traditional data storage, extraction, transformation, and analysis technologies have thus …

It is not well understood why severe acute respiratory syndrome (SARS)-CoV-2 spreads
much faster than other β-coronaviruses such as SARS-CoV and Middle East respiratory …

Cancer is one of the leading causes of death worldwide, and the development of resistance
to chemotherapy drugs is a major challenge in treating malignancies. In recent years …

Introduction For rational drug design, it is crucial to understand the receptor-drug binding
processes and mechanisms. A new era for the use of computer simulations in predicting …

Cancer is one of the leading causes of death due to its very high rate of morbidity and
mortality, and there is a constant demand of effective drugs for cancer therapy. Vascular …

Due to extensive pharmacological research, medicinal plants the underpinning of
indigenous herbal serve as a possible source of key compounds for the development of new …

Covalent inhibitors have received extensive attentions in the past few decades because of
their long residence time, high binding efficiency and strong selectivity. Therefore, it is …

Molecular docking advances early-stage drug discovery by predicting the geometries and
affinities of small-molecule compounds bound to drug-target receptors, predictions that …

Neonatal sepsis is a severe bacterial infection that can lead to life-threatening complications
in newborns. Pseudomonas extremorientalis is a Gram-negative bacterium and these Gram …

Overexpression of epithelial growth factor receptor (EGFR) has been identified as the driving
mechanism within the development and progression of several cancers. The emergence of …