Ji Mingjuan
Professor of Physical Chemistry
College of Chemical and Chemical Engineering
Graduate University of the Chinese Academy of Sciences
Email: jmj@gucas.ac.cn
Telephone: 88256326
Address: 19A, Yuquan Road, Beijing, China
Postcode: 100049
Professor of Physical Chemistry
College of Chemical and Chemical Engineering
Graduate University of the Chinese Academy of Sciences
Email: jmj@gucas.ac.cn
Telephone: 88256326
Address: 19A, Yuquan Road, Beijing, China
Postcode: 100049
Research Areas
Medical Chemistry, computational Chemistry
Education
BS in chemistry, Peking University (1978.2)
Experience
1978- present , The College of Chemistry and Chemical Engineering, The Graduate University of Chinese Academy of Sciences
2008, Visiting Scholar, Department of Pharmacology , The University of Texas Southwestern Medical Center
2008, Visiting Scholar, Department of Pharmacology , The University of Texas Southwestern Medical Center
Publications
Papers
（1） Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV，Bioorganic and Medicinal Chemistry Letters，2011
（2） Studying the mechanism that enables paullones to selectively inhibit glycogen synthase kinase 3 rather than cyclin-dependent kinase 5 by molecular dynamics simulations and free-energy calculations ，Journal of Molecular Modeling ，2011
（3） The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations ，Journal of Computer-Aided Molecular Design ，2011
（4） Structural Basis of Specific Binding between Aurora A and TPX2 by Molecular Dynamics Simulations，Journal of Chemical Information and Modeling，2011
（5） Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes, Hologram QSAR for OBA and BBB analogues，Bioorganic and Medicinal Chemistry Letters，2010
（6） Structure-Based Design of Peptides against G3BP with Cytotoxicity on Tumor Cells， Journal of Chemical Information and Modeling，2010
（7） molecular dynamics simulation and binding free energy calculations of a selective inhibitor of PTP1B，Journal of the Graduate School of the Chinese Academy of Sciences ，2009
（8） Studies of chirality effect of 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine on p38a by molecular dynamics simulations and free energy calculations，Journal of Computer-Aided Molecular Design，2009
（9） Molecular Dynamics Simulations and Free Energy Calculations of a Novel Series of Protein Tyrosine Phosphatase 1B Difluoromethylenephosphonic Acid Inhibitors，Acta Physico-Chimica Sinica ，2009
（10） Molecular Docking and 3D-QSARonMaleimide Derivatives as Glycogen Synthase Kinase-3beta Inhibitors，Acta Physico-Chimica Sinica ，2009
（11） Studies of the Mechanism of Selectivity of Protein Tyrosine Phosphatase 1B (PTP1B) Bidentate Inhibitors Using Molecular Dynamics Simulations and Free Energy Calculations，Journal of Chemical Information and Modeling，2008
（12） Molecular docking and 3D-QSAR on 2-(oxalylamino) benzoic acid and its analogues as protein tyrosine phosphatase 1B inhibitors，Bioorganic and Medicinal Chemistry Letters，2005
（2） Studying the mechanism that enables paullones to selectively inhibit glycogen synthase kinase 3 rather than cyclin-dependent kinase 5 by molecular dynamics simulations and free-energy calculations ，Journal of Molecular Modeling ，2011
（3） The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations ，Journal of Computer-Aided Molecular Design ，2011
（4） Structural Basis of Specific Binding between Aurora A and TPX2 by Molecular Dynamics Simulations，Journal of Chemical Information and Modeling，2011
（5） Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes, Hologram QSAR for OBA and BBB analogues，Bioorganic and Medicinal Chemistry Letters，2010
（6） Structure-Based Design of Peptides against G3BP with Cytotoxicity on Tumor Cells， Journal of Chemical Information and Modeling，2010
（7） molecular dynamics simulation and binding free energy calculations of a selective inhibitor of PTP1B，Journal of the Graduate School of the Chinese Academy of Sciences ，2009
（8） Studies of chirality effect of 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine on p38a by molecular dynamics simulations and free energy calculations，Journal of Computer-Aided Molecular Design，2009
（9） Molecular Dynamics Simulations and Free Energy Calculations of a Novel Series of Protein Tyrosine Phosphatase 1B Difluoromethylenephosphonic Acid Inhibitors，Acta Physico-Chimica Sinica ，2009
（10） Molecular Docking and 3D-QSARonMaleimide Derivatives as Glycogen Synthase Kinase-3beta Inhibitors，Acta Physico-Chimica Sinica ，2009
（11） Studies of the Mechanism of Selectivity of Protein Tyrosine Phosphatase 1B (PTP1B) Bidentate Inhibitors Using Molecular Dynamics Simulations and Free Energy Calculations，Journal of Chemical Information and Modeling，2008
（12） Molecular docking and 3D-QSAR on 2-(oxalylamino) benzoic acid and its analogues as protein tyrosine phosphatase 1B inhibitors，Bioorganic and Medicinal Chemistry Letters，2005
Research Interests
Computer Aided Drug Design;
Computer Aided Peptide Design;
Molecular Modeling of biomolecules
Computer Aided Peptide Design;
Molecular Modeling of biomolecules
Group Members
Past members:
Pan Yongmei
Zhou Mei
Fang Lei
Wei Zhuo
Cui Wei
Chen Quan
Current members:
Liang Desheng
Luo Fang
Gao Jian