Computational Insights Into the Mechanism of EGCG's Binding and Inhibition of the TDP‐43 Aggregation

VD Meshram, R Balaji, P Saravanan… - Chemical Biology & …, 2024 - Wiley Online Library
Misfolding and aggregation of TAR DNA‐binding protein, TDP‐43, is linked to devastating
proteinopathies such as ALS. Therefore, targeting TDP‐43's aggregation is significant for …

Ensemble docking for intrinsically disordered proteins

A Dhar, TR Sisk, P Robustelli - bioRxiv, 2025 - biorxiv.org
Intrinsically disordered proteins (IDPs) are implicated in many human diseases and are
increasingly being pursued as drug targets. Conventional structure-based drug design …