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 ...

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 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 ...

According to a new study published in Nature Communications, researchers at the Department of Laboratory Medicine, Karolinska Institutet, have made a significant leap in drug discovery and development ...

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 ...

As drug developers pursue increasingly complex therapies, traditional bioanalytical approaches are being put to the test. How ...

University of Virginia School of Medicine scientists have developed a bold new approach to drug development and discovery that could dramatically accelerate the creation of new medicines. UVA's ...

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 ...

A new method seeks specific molecules that can target desired tissues through the bloodstream and penetrate tissues by passing through cells. This innovation could help solve issues related to drug ...