How to design a drug for the disordered proteins?
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Updated: May 11, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Calvin Yu-Chian Chen1, Weng Ieong Tou
1College of Pharmaceutical Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, China; Department of Biotechnology, Asia University, Taichung 41354, Taiwan; Department of Biomedical Informatics, Asia University, Taichung 41354, Taiwan; China Medical University Beigang Hospital, Yunlin 65152, Taiwan; Laboratory of Computational and Systems Biology, China Medical University, Taichung 40402, Taiwan; Department of Medical Research, China Medical University Hospital, Taichung 40447, Taiwan; Computational and Systems Biology, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Abstract:
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.
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