Chen, Calvin Yu-Chian; Tou, Weng Leong
How to design a drug for the disordered proteins
DRUG DISCOVERY TODAY, 18:910-915, OCT 2013

Structural disorders of proteins make drug design a difficult task. The gel-like state of intrinsically disordered protein (IDP) or intrinsically disordered regions (IDRs) remains a big puzzle for drug designers. Here, we propose a novel concept for drug design by understanding protein disintegration and protein-protein interaction (PPI) using molecular dynamics (MD) simulation and propose a possible approach for overcoming current obstacles in IDP drug design.

DOI:10.1016/j.drudis.2013.04.008

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