In the past two decades, machine learning (ML) has been extensively adopted in protein-
targeted small molecule (SM) discovery. Once trained, ML models could exert their …

Fragment-based drug discovery is a powerful approach in drug discovery, applicable to a
wide range of targets. This method enables the discovery of potent compounds that can …

Single-stranded RNA folds into a variety of secondary and higher-order structures.
Distributions and dynamics of multiple RNA conformations are responsible for the biological …

Drug discovery relies on efficient identification of small-molecule leads and their interactions
with macromolecular targets. However, understanding how chemotypes impact …

Fluorogenic RNAs such as the Mango aptamers are uniquely powerful tools for imaging
RNA. A central challenge has been to develop brighter, more specific, and higher affinity …