A groundbreaking new algorithm called Quantum-assisted Fragment-based Automated Structure Generator (QFASG) from a team of researchers at clinical stage artificial intelligence (AI)-driven biotech ...

Many drugs consist of small molecules that bind to protein targets and modulate their activity. To design such drugs, researchers often rely on crystal structures based on X-ray diffraction data that ...

For the past five years, researchers at Leipzig University have been working on fundamentally new methods for selectively assembling gaseous, charged molecular fragments into new, complex molecules.

Drug discovery can be a frustrating process of trial and error. Scientists using fragment-based drug discovery link fragments of different molecules together to ...

Representing a molecule in a way that captures both its structure and function is central to tasks such as molecular property prediction, drug drug ...

(Nanowerk News) National University of Singapore chemists have developed a strategy for the atomically precise synthesis of fully conjugated zigzag-edged carbon nanobelts (CNBs). The obtained molecule ...

This news release is available in German. Small difference, large effect: Most biological molecules occur in two variants, an original and its mirror image. As a result, they are related to one ...

A recent study posted to the bioRxiv* preprint server illustrated the optimization of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) nonstructural protein 3 (NSP3) macrodomain (Mac) ...

The story of a cancer-fighting molecule that took half a century to build is really a story about how slow, stubborn ...