Shaomeng Wang

发表

The PDBbind database: methodologies and updates.

Renxiao Wang, Xueliang Fang, Yipin Lu, 2005, Journal of medicinal chemistry.

Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction.

Su Qiu, Guoping Wang, Wei Gao, 2006, Journal of medicinal chemistry.

Comparative evaluation of 11 scoring functions for molecular docking.

Renxiao Wang, Yipin Lu, Shaomeng Wang, 2003, Journal of medicinal chemistry.

Self-Guided Molecular Dynamics Simulation for Efficient Conformational Search

Xiongwu Wu, Shaomeng Wang, 1998 .

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures.

Renxiao Wang, Xueliang Fang, Yipin Lu, 2004, Journal of medicinal chemistry.

Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database.

Dajun Yang, Xueliang Fang, Renxiao Wang, 2004 .

CHMIS-C: a comprehensive herbal medicine information system for cancer.

Xueliang Fang, Shaomeng Wang, Lei Shao, 2005, Journal of medicinal chemistry.

Structural Basis of Binding of High-Affinity Ligands to Protein Kinase C: Prediction of the Binding Modes Through a New Molecular Dynamics Method and Evaluation by Site-Directed Mutagenesis.

Youngshang Pak, I. Enyedy, Shaomeng Wang, 2001 .

Role of phorbol ester localization in determining protein kinase C or RasGRP3 translocation: real-time analysis using fluorescent ligands and proteins.

Shaomeng Wang, P. Blumberg, G. Hur, 2005, Molecular cancer therapeutics.

Conformationally Constrained Analogues of Diacylglycerol. Part 12. Ultrapotent Protein Kinase C Ligands Based on a Chiral 4,4‐ Disubstituted Heptono‐1,4‐lactone Template.

Z. Szallasi, G. Milne, Jeewoo Lee, 1996 .

b 2-Chimaerin is a novel target for diacylglycerol : Binding properties and changes in subcellular localization mediated by ligand binding to its C 1 domain

E. Kremmer, B. Bienfait, H. Mischak, 1999 .

Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

Xueliang Fang, Xueliang Fang, Shaomeng Wang, 2003, Journal of medicinal chemistry.

Enhancing systematic motion in molecular dynamics simulation

Xiongwu Wu, Xiongwu Wu, Shaomeng Wang, 1999 .

Helix Folding of an Alanine-Based Peptide in Explicit Water

Shaomeng Wang, Xiongwu Wu and, Shaomeng Wang, 2001 .

Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching.

George W. A. Milne, Marc C. Nicklaus, Xinjian Yan, 1996, Journal of medicinal chemistry.

Discovery of a novel nonphosphorylated pentapeptide motif displaying high affinity for Grb2-SH2 domain by the utilization of 3'-substituted tyrosine derivatives.

Shaomeng Wang, S. Qiu, P. Roller, 2006, Journal of medicinal chemistry.

Structure-Based Approach for Discovery of Small Molecule Inhibitors Targeted at Bcl-2

Shaomeng Wang, 2006 .

STRUCTURE-BASED DESIGN OF A NEW CLASS OF PROTEIN KINASE C MODULATORS

Shaomeng Wang, P. Blumberg, L. Qiao, 1998 .

Global transcriptional regulation by BirA in enterohemorrhagic Escherichia coli O157:H7.

Shaomeng Wang, Bin Yang, Lingyan Jiang, 2018, Future microbiology.

Global effect of CsrA on gene expression in enterohemorrhagic Escherichia coli O157:H7.

Shaomeng Wang, Bin Yang, Fan Yang, 2017, Research in microbiology.

Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation

Shaomeng Wang, Gilles Klopman, D. M. Balthasar, 1992, J. Chem. Inf. Comput. Sci..

Selectively Targeting Tropomyosin Receptor Kinase A (TRKA) via PROTACs.

Shaomeng Wang, Weiguo Xiang, 2020, Journal of medicinal chemistry.

Sphingosine 1-phosphate-induced nitric oxide production simultaneously controls endothelial barrier function and vascular tone in resistance arteries.

Shaomeng Wang, D. Hemmings, R. Gombos, 2021, Vascular pharmacology.

Novel TRH analog improves motor and cognitive recovery after traumatic brain injury in rodents.

A. Faden, Shaomeng Wang, A. Kozikowski, 1999, American journal of physiology. Regulatory, integrative and comparative physiology.

Characterization of C-10 Substituted Analogues of Huperzine A as Inhibitors of Cholinesterases

B. P. Doctor, Shaomeng Wang, G. Campiani, 1998 .

Identification of a more potent analogue of the naturally occurring alkaloid huperzine A. Predictive molecular modeling of its interaction with AChE

B. P. Doctor, Shaomeng Wang, G. Campiani, 1996 .

Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models.

Heather A Carlson, Anna L. Bowman, H. Carlson, 2007, Journal of the American Chemical Society.

Hydrazide-Containing Inhibitors of HIV-1 Integrase†

Y. Pommier, N. Neamati, G. Milne, 1997 .

Synthesis, molecular modeling, and biology of the 1-benzyl derivative of APDC-AN apparent mGluR6 selective ligand

J. Wroblewski, Shaomeng Wang, A. Kozikowski, 1997 .

Molecular modeling of the interactions of glutamate carboxypeptidase II with its potent NAAG-based inhibitors.

J. Neale, J. Wroblewski, Shaomeng Wang, 2002, Journal of medicinal chemistry.

Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy.

Xueliang Fang, Su Qiu, Xueliang Fang, 2006, Journal of medicinal chemistry.

Computer Automated log P Calculations Based on an Extended Group Contribution Approach

Shaomeng Wang, Gilles Klopman, Ju-Yun Li, 1994, J. Chem. Inf. Comput. Sci..

Nonphosphorylated Peptide Ligands for the Grb2 Src Homology 2 Domain*

D. Krag, Shaomeng Wang, P. Roller, 1997, The Journal of Biological Chemistry.

Synthesis and biology of the rigidified glutamate analogue, trans-2-carboxyazetidine-3-acetic acid (t-CAA)

J. Wroblewski, Shaomeng Wang, A. Kozikowski, 1996 .

A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells.

Renxiao Wang, Renxiao Wang, Shaomeng Wang, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Structural basis of RasGRP binding to high-affinity PKC ligands.

I. Enyedy, Shaomeng Wang, P. Blumberg, 2002, Journal of medicinal chemistry.

2,3-Disubstituted quinuclidines as a novel class of dopamine transporter inhibitors.

Kenneth M. Johnson, J. Flippen-Anderson, I. Enyedy, 2003, Bioorganic & medicinal chemistry.

MCDOCK: A Monte Carlo simulation approach to the molecular docking problem

Shaomeng Wang, Ming Liu, Shaomeng Wang, 1999, J. Comput. Aided Mol. Des..

A dual-readout F2 assay that combines fluorescence resonance energy transfer and fluorescence polarization for monitoring bimolecular interactions.

R. Dingledine, H. Fu, Shaomeng Wang, 2011, Assay and drug development technologies.

Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes

Renxiao Wang, Chao-Yie Yang, Shaomeng Wang, 2007, J. Chem. Inf. Model..

Residues in the Second Cysteine-rich Region of Protein Kinase C δ Relevant to Phorbol Ester Binding as Revealed by Site-directed Mutagenesis (*)

G. Milne, Shaomeng Wang, M. Kazanietz, 1995, The Journal of Biological Chemistry.

Web-Based Tools for Mining the NCI Databases for Anticancer Drug Discovery

Hui Zhang, Lei Shao, Shaomeng Wang, 2004, J. Chem. Inf. Model..

National Cancer Institute Drug Information System 3D Database

George W. A. Milne, Marc C. Nicklaus, Shaomeng Wang, 1994, J. Chem. Inf. Comput. Sci..

A Web-Based 3D-Database Pharmacophore Searching Tool for Drug Discovery

Shaomeng Wang, Xueliang Fang, Xueliang Fang, 2002, J. Chem. Inf. Comput. Sci..

Comparison of the NCI Open Database with Seven Large Chemical Structural Databases

Johannes H. Voigt, Marc C. Nicklaus, Shaomeng Wang, 2001, J. Chem. Inf. Comput. Sci..

Transcriptional Activator GmrA, Encoded in Genomic Island OI-29, Controls the Motility of Enterohemorrhagic Escherichia coli O157:H7

Shaomeng Wang, Xiaomin Li, Lu Feng, 2018, Front. Microbiol..

How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment

Shaomeng Wang, Renxiao Wang, Renxiao Wang, 2001, J. Chem. Inf. Comput. Sci..

Folding studies of a linear pentamer peptide adopting a reverse turn conformation in aqueous solution through molecular dynamics simulation

Xiongwu Wu, Shaomeng Wang, 2000 .

Role of Hydrophobic Residues in the C1b Domain of Protein Kinase C δ on Ligand and Phospholipid Interactions*

Shaomeng Wang, P. Blumberg, V. Marquez, 2001, The Journal of Biological Chemistry.

Phorbol Esters and Related Analogs Regulate the Subcellular Localization of β2-Chimaerin, a Non-protein Kinase C Phorbol Ester Receptor*

Shaomeng Wang, M. Kazanietz, M. J. Caloca, 2001, The Journal of Biological Chemistry.

Application of a Molecular Dynamics Simulation Method with a Generalized Effective Potential to the Flexible Molecular Docking Problems

Youngshang Pak, Shaomeng Wang, Shaomeng Wang, 2000 .

An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes

Shaomeng Wang, Renxiao Wang, Xueliang Fang, 2004, J. Chem. Inf. Model..

Bicyclic Peptide Inhibitors of an Epithelial Cell-Derived Transmembrane Protease, Matriptase

I. Enyedy, Shaomeng Wang, R. Dickson, 2001 .

Conformationally constrained analogues of diacylglycerol. 6. Changes in PK-C binding affinity for 3-O-acyl-2-deoxy-L-ribonolactones bearing different acyl chains.

Jeewoo Lee, Shaomeng Wang, M. Kazanietz, 1994 .

InVitro Anti-Mycobacterium aviumActivities ofQuinolones: Predicted Active Structures andMechanistic Considerations

Shaomeng Wang, 1994 .

Structure-based discovery of nonpeptidic small organic compounds to block the T cell response to myelin basic protein.

Chao-Yie Yang, Xiongwu Wu, Yipin Lu, 2004, Journal of medicinal chemistry.

Graph Theory and Group Contributions in the Estimation of Boiling Points

George W. A. Milne, Gilles Klopman, Shaomeng Wang, 1994, J. Chem. Inf. Comput. Sci..

Small molecule interactions with protein-tyrosine phosphatase PTP1B and their use in inhibitor design.

Xinjian Yan, Bin Ye, D. Barford, 1996, Biochemistry.

Resiniferatoxin‐Amide and Analogues as Ligands for Protein Kinase C and Vanilloid Receptors and Determination of Their Biological Activities as Vanilloids

G. Milne, Jeewoo Lee, Shaomeng Wang, 1995, Journal of neurochemistry.

3-(Hydroxymethyl)-bearing phosphatidylinositol ether lipid analogues and carbonate surrogates block PI3-K, Akt, and cancer cell growth.

Shaomeng Wang, G. Powis, Y. Hu, 2000, Journal of medicinal chemistry.

Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease.

T R Burke, Y. Pommier, N. Neamati, 1996, Journal of medicinal chemistry.

A dual-readout F2 assay that combines fluorescence resonance energy transfer and fluorescence polarization for monitoring bimolecular interactions.

R. Dingledine, H. Fu, Shaomeng Wang, 2011, Assay and drug development technologies.

An Extensive Test for 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein—Ligand Complexes.

Renxiao Wang, Xueliang Fang, Yipin Lu, 2005 .

Rational design, synthesis, and biological evaluation of rigid pyrrolidone analogues as potential inhibitors of prostate cancer cell growth.

B. Roth, J. Flippen-Anderson, Shaomeng Wang, 2001, Bioorganic & medicinal chemistry letters.

A computer automated structure evaluation (CASE) approach to calculation of partition coefficient

Gilles Klopman, G. Klopman, Shaomeng Wang, 1991 .

Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy.

Xueliang Fang, Su Qiu, Xueliang Fang, 2006, Journal of medicinal chemistry.

Characterization of junctional and longitudinal sarcoplasmic reticulum from heart muscle.

Shaomeng Wang, S. Fleischer, M. Inui, 1988, The Journal of biological chemistry.

Direct observation of the folding and unfolding of a beta-hairpin in explicit water through computer simulation.

Bernard R Brooks, Xiongwu Wu, B. Brooks, 2002, Journal of the American Chemical Society.

Competitive and reversible binding of a guest molecule to its host in aqueous solution through molecular dynamics simulation: Benzyl alcohol/β-cyclodextrin system

Xiongwu Wu, Shaomeng Wang, J. Varady, 2002 .