Nature research paper: 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

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

Global protein-ligand binding affinity profiling via photocatalytic labeling

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

Analyzing Redundancy in Natural Protein Fold Space and the Role of Generative AI in Biomolecular Modeling

This research note from Ligo explores the concept of redundancy in natural protein fold space, examining how deep neural networks and genera