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 ...
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.
C&EN

Exploring the Microbial Peptides Derived from the Human Gut Microbiota to Regulate Class B GPCRS Using an In Silico Approach

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Overall, the importance of microbiome-derived metabolites and ...
eLife

Reliable protein–protein docking with AlphaFold, Rosetta, and replica exchange

They found two features of AFm predictions that are very useful. (1) pLLDT is predictive of flexible residues, which they could target for conformational sampling during docking; (2) the ...