The promised industrial applications of quantum computers often rest on their anticipated ability to perform accurate, efficient quantum chemical calculations. Computational drug discovery relies on ...

A recent study shows that computer algorithms can be used to find molecules that can be developed into anti-inflammatory drugs. In the article, the researchers also describe how the same strategy can ...

Generative drug design facilitates the creation of compounds effective against pathogenic target proteins. This opens up the potential to discover novel compounds within the vast chemical space and ...

A team of chemists has unveiled a novel method to simplify the synthesis of piperidines, a key structural component in many pharmaceuticals. The study combines biocatalytic carbon-hydrogen oxidation ...

Proteins are the foundation of all life we currently know. With their virtually limitless diversity, they can perform a broad variety of biological functions, from delivering oxygen to cells and ...

LANCASTER, Calif.--(BUSINESS WIRE)--Simulations Plus, Inc. (Nasdaq: SLP) (“Simulations Plus”), a leading provider of biosimulation, simulation-enabled performance and intelligence solutions, and ...

Disease modeling and target identification are critical and time-consuming portions of the drug discovery process and areas where artificial intelligence (AI) is already making a substantial impact. A ...

Schrödinger (SDGR) on Friday announced a collaboration with Eli Lilly (LLY) to integrate its drug development software LiveDesign with the Indiana-based pharma giant’s TuneLab AI-based drug discovery ...

Google DeepMind announced the launch of AlphaProteo, an AI system to help biological and health researchers design novel, high-strength proteins that bind to target molecules with accuracy and ...

Experts have been raising concerns about “AI washing.” One of these experts, futurist Bernard Marr, has said that AI washing “involves exaggerating the capabilities of a product or service that is ...

Researchers from David Baker's lab (University of Washington) have designed this antibody from scratch to neutralize a deadly toxin from C. difficile. [Ian Haydon] “Life could not exist without ...