Investigating the Impact of Asp181 Point Mutations on Interactions between PTP1B and Phosphotyrosine Substrate

A computational analysis of binding modes and conformation changes of MDM2 induced by p53 and inhibitor bindings

(2013) Jianzhong Chen et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS

(2013) TING FU et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Design, Synthesis, and Biological Evaluation of Bromophenol Derivatives as Protein Tyrosine Phosphatase 1B Inhibitors

(2012) Bo Jiang et al.   ARCHIV DER PHARMAZIE

Classification of Binding Site Conformations of Protein Tyrosine Phosphatase 1B

(2012) Vsevolod Yu. Tanchuk et al.   Chemical Biology & Drug Design

PTP1B and TCPTP - nonredundant phosphatases in insulin signaling and glucose homeostasis

(2012) Tony Tiganis   FEBS Journal

Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations

(2012) Jianzhong Chen et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Molecular dynamics simulation of the interaction between protein tyrosine phosphatase 1B and aryl diketoacid derivatives

(2012) Qiang Wang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

New 5-deoxyflavonoids and their inhibitory effects on protein tyrosine phosphatase 1B (PTP1B) activity

(2011) Phi Hung Nguyen et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Discovery of potent, selective and orally bioavailable triaryl-sulfonamide based PTP1B inhibitors

(2011) Dipam Patel et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Fast and accurate computation schemes for evaluating vibrational entropy of proteins

(2011) Beisi Xu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Insight into mechanism of small molecule inhibitors of the MDM2–p53 interaction: Molecular dynamics simulation and free energy analysis

(2011) Jianzhong Chen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity

(2010) Deju Ye et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes: Hologram QSAR for OBA and BBB analogues

(2010) Yuanhua Cheng et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Preparation of triazole-linked glycosylated α-ketocarboxylic acid derivatives as new PTP1B inhibitors

(2010) Zhuo Song et al.   CARBOHYDRATE RESEARCH

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Inhibition of IKK-β: A new development in the mechanism of the anti-obesity effects of PTP1B inhibitors SA18 and SA32

(2009) Bharat Raj Bhattarai et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation