The earliest stage of drug discovery is governed by a simple constraint: there are far more possible drug-like molecules than any pharmaceutical laboratory could ever test. A new deep learning system, ...

ABSTRACT: Human alpha-tubulin acetyltransferase 1 (h-αTAT1) is a GNAT-family enzyme responsible for acetylating lysine 40 of α-tubulin, a modification critical for microtubule stability and cellular ...

The interaction between p53 and MDM2 represents a key therapeutic target in several cancers where MDM2 overexpression suppresses p53 activity. Despite extensive research, the discovery of potent and ...

Researchers in China have unveiled a new AI framework that could accelerate the discovery of new medicines. DrugCLIP can scan millions of potential drug compounds against thousands of protein targets ...

Across Nevada’s rangelands, hauling barbed wire and setting fence posts remains a necessary, albeit labor-intensive, task for ranchers. Now, with help from University of Nevada, Reno researchers, some ...

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 ...

To accelerate virtual ligand screening (VLS) and identify potent drug leads from massive chemical libraries, we developed two GPU-accelerated methods: Rapid Docking GPU Engine (RIDGE) for ...

1. Scoring functions: Scoring functions, mathematical algorithms predicting ligand-protein binding affinity, remain imperfect with limitations in accuracy and high false positive rates. 2. Structural ...

AI agents are having a moment. From customer service automation to complex workflow orchestration, these systems promise to revolutionize how enterprises operate. Yet despite the hype, actual ...

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