Welcome to Molecular Design Labrotary

The Molecular Design Lab was created in September 2009 at the Department of Pathophysiology, Shanghai JiaoTong University. Our research interests focus on the developments and applications of computational biology, computer-aided drug design, bioinformatics and chemical biology methods to unearth the mechanism of allosteric regulation in biological systems and predict the drugable allosteric sites, to model protein-protein/protein-ligand interactions, and to sniff out the potential therapeutics aimed at diseases-associated therapy. We seek to provide computationally and biologically inspired solutions to address the challenges of finely-tuned biological regulation and human disorder treatment and medicine.


2014-9-30 New paper accepted: The paper titled " The Structural Basis of ATP as an Allosteric Modulator" has been accepted by PLoS Computational Biololgy.
2013-09-15 New group members: Welcome Jialin Shang, Yingqing Wei and Junhao Yan!
2013-11-10 New paper accepted: The paper titled "ASD v2.0: updated content and novel features focusing on allosteric regulation" has been accepted by Nucleic Acids Research.
2013-09-06 New group members: Welcome Guanqiao Wang, Yuanyuan Shao and Jiawei Wu!
2013-07-31 New paper accepted: AlloSite is published in Bioinformatics.
2013-03-25 Version 2013 of MDL Home Page is on line.