WsheeleProSTAGE: Predicting Effects of Mutations on Protein Stability by Using Protein Embeddings and…The thermodynamic stability of proteins has a major impact on their structure, function, expression, and solubility. Mutations can reduce…Feb 51Feb 51
WsheeleDiscovery of Nanomolar Inhibitors for Human Dihydroorotate Dehydrogenase Using Structure-Based Drug…Acute myeloid leukemia (AML) is an important problem, especially in people over 65. Despite improved prognoses over the past 30 years, more…Jan 29Jan 29
WsheeleDiscovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for…Prostate cancer (PCa) is the most common type of cancer among men and the fifth most common cause of cancer death among men. It is noted…Jan 23Jan 23
WsheeleAvapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Article reviewPreviously, gastrointestinal stromal tumors (GISTs) were incurable diseases that led to high mortality. The discovery of activating…Jan 19Jan 19
WsheeleModeling the Cellular Uptake of Functionalized Carbon Nanohorns Loaded with Cisplatin through a…Since breast cancer is the most common type of cancer among women and the fifth most common cause of death from this disease, we continue…Jan 17Jan 17
WsheeleDiscovery of a structural class of antibiotics with explainable deep learning. Article reviewThe antibiotic resistance crisis may render current antibiotics ineffective, leading to increased bacterial infections. The scarcity of new…Jan 15Jan 15
WsheeleScreening and Characterization of Allosteric Small Molecules Targeting Bruton’s Tyrosine Kinase.Bruton’s tyrosine kinase (BTK) is an enzyme that plays a key role in cellular immunity signaling pathways, in particular in the development…Jan 11Jan 11
WsheeleShape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide…The present text discusses the problems associated with targeting lipoamide dehydrogenase (Lpd), an oxidoreductase found in living cells…Jan 10Jan 10
WsheeleAdvances in breast cancer treatment: what’s wrong with estrogen?Breast cancer, from a molecular biological point of view, is a group of diseases that originate from the uncontrolled growth and…Jan 81Jan 81
WsheeleStudy of conformational selectivity using molecular dynamics: still a first.In the introduction of their article, the researchers discuss interleukin-2-induced T-cell kinase (ITK). This kinase is expressed in T…Jan 3Jan 3
