Binding Modes of Peptidomimetics Designed to Inhibit STAT3

The cost of drug development: A systematic review

(2011) Steve Morgan et al.   HEALTH POLICY

Discovery of Potent Inhibitors of Soluble Epoxide Hydrolase by Combinatorial Library Design and Structure-Based Virtual Screening

(2011) Li Xing et al.   JOURNAL OF MEDICINAL CHEMISTRY

Potent and Selective Phosphopeptide Mimetic Prodrugs Targeted to the Src Homology 2 (SH2) Domain of Signal Transducer and Activator of Transcription 3

(2011) Pijus K. Mandal et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rosetta FlexPepDock ab-initio: Simultaneous Folding, Docking and Refinement of Peptides onto Their Receptors

(2011) Barak Raveh et al.   PLoS One

Structural Analysis of Prolyl Oligopeptidases Using Molecular Docking and Dynamics: Insights into Conformational Changes and Ligand Binding

(2011) Swati Kaushik et al.   PLoS One

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database

(2010) Dariusz Plewczynski et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes

(2010) Xun Li et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Characterization of molecular recognition of STAT3 SH2 domain inhibitors through molecular simulation

(2010) In-Hee Park et al.   JOURNAL OF MOLECULAR RECOGNITION

Virtual screening: an endless staircase?

(2010) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

Discovery of Selective Inhibitors Against EBNA1 via High Throughput In Silico Virtual Screening

(2010) Ning Li et al.   PLoS One

Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina

(2010) Max W. Chang et al.   PLoS One

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

(2009) Jason B. Cross et al.   Journal of Chemical Information and Modeling

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structure−Affinity Relationships of Glutamine Mimics Incorporated into Phosphopeptides Targeted to the SH2 Domain of Signal Transducer and Activator of Transcription 3

(2009) Pijus K. Mandal et al.   JOURNAL OF MEDICINAL CHEMISTRY

Conformationally Constrained Peptidomimetic Inhibitors of Signal Transducer and Activator of Transcription 3: Evaluation and Molecular Modeling

(2009) Pijus K. Mandal et al.   JOURNAL OF MEDICINAL CHEMISTRY

Chemical Probes that Competitively and Selectively Inhibit Stat3 Activation

(2009) Xuejun Xu et al.   PLoS One

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations

(2009) Noriaki Okimoto et al.   PLoS Computational Biology

Design, synthesis, and studies of small molecule STAT3 inhibitors

(2007) Deepak Bhasin et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Efficient docking of peptides to proteins without prior knowledge of the binding site

(2002) Csaba Hetényi et al.   PROTEIN SCIENCE