Chemistry World

AI tool dramatically reduces computing power needed to find protein-binding molecules

Jia’s team developed a protocol to improve the screening of protein pockets. This involved identifying the pockets, removing ...
Yicai Global

Chinese Scientists Develop AI-Driven Ultra-Fast Drug Screening Platform

(Yicai) Jan. 13 -- A team of scientists at Tsinghua University in China have developed an artificial intelligence-driven ...
China Daily Global Edition

AI platform enables million-fold increase in drug screening speed

Chinese researchers have developed an artificial intelligence-powered virtual drug screening platform that achieves a ...

A new AI tool could dramatically speed up the discovery of life-saving medicines

Researchers in China have unveiled a new AI framework that could accelerate the discovery of new medicines. DrugCLIP can scan ...
Frontiers

Exploring the carcinogenic potential of bisphenol A in lung adenocarcinoma: molecular mechanisms, key gene insights, and immune microenvironment impacts

Background: Bisphenol A (BPA) is an endocrine-disrupting chemical that may contribute to cancer development. However, its role in lung adenocarcinoma (LUAD) remains poorly understood. This study aimed ...
ahajournals.org

Abstract Thu055: Protein Engineering and Molecular Docking as a Means of Optimizing Direct Cardiac Reprogramming

Introduction: Direct cardiac reprogramming—the conversion of fibroblasts into cardiomyocyte-like cells— offers a promising solution to the issue of the heart’s limited regenerative capacity.
IEEE

Water-Mediated Protein and Ligand Docking Using Deep Learning

Abstract: Traditional molecular docking approaches often overlook water molecules or treat them as rigid entities, which compromises docking accuracy and fails to capture realistic biomolecular ...