Zero-shot design of drug-binding proteins via neural iterative selection−expansion

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform

xBind: An LLM-powered webserver for cross-molecular protein binding site prediction

xBind is a freely accessible webserver that uses large language model (LLM) embeddings from ESM-2 combined with sequence- and structure-deri

Global protein-ligand binding affinity profiling via photocatalytic labeling

De novo design of peptides localizing at the interface of biomolecular condensates

https://doi.org/10.1093/nar/gkag415

PockFlex: A web server for analyzing protein binding pockets across structural ensembles

PockFlex is a web server that analyzes protein structural ensembles to identify, characterize, and prioritize binding pockets (cavities wher