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.|