This study was conducted to compare the efficiencies of two virtual screening approaches, pharmacophore-based virtual screening (PBVS) and docking-based virtual screening (DBVS) methods. All virtual ...

Chemical space is vast, and the screening libraries that are used to find starting points for new drugs don’t even begin to scratch the surface of what’s possible. Computational methods that predict ...

Virtual screening can be approached in several ways, depending on whether the comparison is based on the known small molecule binders (ligands) or the target protein structure. Ligand-based virtual ...

Virtual screening is a set of computational methods used to evaluate large numbers of molecules and identify those most likely to interact with a biological target, typically a protein. The concept is ...

近日，武汉大学药学院、中南医院药学研究院鲁丽课题组在《 Plant Biotechnology Journal》在线发表了题为 “Structure-based virtual screening aids the identification of glycosyltransferases in the biosynthesis of salidroside” 的 研究论文 近日，武汉大学药学院 ...

In a recent review published in the journal Nature, researchers examined recent breakthroughs in ligand discovery tools, their potential to reshape the drug research and development process, and the ...

In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

The process of identifying promising small molecule drug candidates that target cancer checkpoints may become faster and smarter through virtual screening, according to Weill Cornell Medicine ...

Telemedicine screening preserved access to lung cancer screening during the COVID-19 pandemic for a safety net hospital’s large African American patient population. Despite the opportunity to be ...