Artificial Intelligence Model Finds Potential Drug Molecules a Thousand Times Faster

Artificial intelligence model finds potential drug molecules thousand times faster
EquiBind (cyan) predicts the ligand that could fit into a protein pocket (green). The true conformation is in pink. Credit: Hannes Stärk et al

The entirety of the known universe is teeming with an infinite number of molecules. But what fraction of these molecules have potential drug-like traits that can be used to develop life-saving drug treatments? Millions? Billions? Trillions? The answer: novemdecillion, or 10^60. This gargantuan number prolongs the drug development process for fast-spreading diseases like COVID-19 because it is far beyond what existing drug design models can compute. To put it into perspective, the Milky Way has about 100 thousand million, or 10^8, stars.

In a paper that will be presented at the International Conference on Machine Learning (ICML), MIT research...

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Efficient, Stable, and Eco-friendly Thermoelectric material discovered

The crystal structure of the barium cobalt oxide film (left; Xi Zhang, Yuqiao Zhang, et al. ACS Applied Materials & Interfaces. July 12, 2022), and the metal oxide film itself (right; Photo: Hiromichi Ohta).

A thermoelectric metal oxide film with a thermoelectric figure of merit of ~0.55 at 600°C has been discovered, opening new avenues towards the widespread use of thermoelectric converters.

Waste heat is a very promising source of energy conservation and reuse, by means of converting this heat into electricity — a process called thermoelectric conversion.

Commercially available thermoelectric conversion devices are synthesized using rare metals. While these are quite efficient, they are expensive and, in the majority of cases, utilize toxic materials...

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Undead Planets: The nusual Conditions of the First Exoplanet Detection

The artist's impression shows a blue and white hued pulsar in the background and a large dark planet in the foreground.
Artist impression of the pulsar-planet system PSR B1257+12 detected in 1992. The pulsar and three radiation-doused planets are all that remains of a dead star system.
Credit
NASA/JPL-Caltech
Licence type
Attribution (CC BY 4.0)

The first ever exoplanets were discovered 30 years ago around a rapidly rotating star, called a pulsar. Now, astronomers have revealed that these planets may be incredibly rare. The new work will be presented tomorrow (Tuesday 12 July) at the National Astronomy Meeting (NAM 2022) by Iuliana Nițu, a PhD student at the University of Manchester.

The processes that cause planets to form, and survive, around pulsars are currently unknown...

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Two different White Blood Cell types play Opposing Roles in affecting Heartbeat irregularities after heart attack

Two different white blood cell types play opposing roles in affecting heartbeat irregularities after heart attack
Summary of findings. Credit: Nature Cardiovascular Research (2022). DOI: 10.1038/s44161-022-00094-w

Neutrophils promote irregularities while macrophages protect against them. Patients with heart disease are at risk of experiencing a potentially lethal “electrical storm” involving recurrent episodes of a type of irregular heartbeat called ventricular tachycardia (VT).

Electric shock therapy is used to treat VT following a heart attack, but unfortunately, options to prevent its recurrence are limited.

New research led by investigators at Massachusetts General Hospital (MGH) reveals that two different white blood cell types influence VT in the heart, suggesting that treatments that influence these cells may help reduce patients’ risk of sudden cardiac death.

The work, which is pu...

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