Chemists snap together complex 3D molecules from highly reactive 'radicals'—without losing their shape

Building the complex 3D molecules needed for new medicines has always been a bit like assembling a puzzle with pieces that ...
Nature

Generating 3D small binding molecules using shape-conditioned diffusion models with guidance

Drug development is a critical but notoriously resource- and time-consuming process. Traditional methods, such as high-throughput screening, rely on opportunistic ...