Equivariant 3D Conditional Diffusion Model for Molecular Linker Design

Equivariant 3D Conditional Diffusion Model for Molecular Linker Design

From early drug discovery researchers face a daunting challenge – to find drug-like candidate molecules among approximately 10^60 possible molecular structures. One successful solution is to start from smaller “fragment” molecules, a strategy known as fragment-based drug design (FBDD). In the FBDD process, the first step is to computationally scree...

Targeted Activation of Ferroptosis in Colorectal Cancer via LGR4 Targeting Overcomes Acquired Drug Resistance

Overcoming Acquired Resistance in Colorectal Cancer by Targeting LGR4 Research Background: Acquired drug resistance is a major obstacle in cancer treatment and a leading cause of cancer-related deaths. However, the mechanisms of resistance are diverse, and how to specifically target resistant cancer cells remains a significant clinical challenge. A...