M. Shu

发表

Combined Pharmacophore Modeling, 3D-QSAR, Homology Modeling and Docking Studies on CYP11B1 Inhibitors

Rui Yu, Juan Wang, Rui Wang, 2015, Molecules.

Quantitative prediction of class I MHC/epitope binding affinity using QSAR modeling derived from amino acid structural information.

Q. Xia, Yong Lin, Yong Hu, 2015, Combinatorial chemistry & high throughput screening.

ST-scale as a novel amino acid descriptor and its application in QSAM of peptides and analogues

M. Shu, H. Mei, Li Yang, 2010, Amino Acids.

Structural Parameter Characterization and Bioactivity Simulation Based on Peptide Sequence

M. Shu, H. Mei, Zhiliang Li, 2009 .

Predicting the Activity of Peptides Based on Amino Acid Information

Juan Wang, Yong Lin, Yong Hu, 2011 .

QSAR study on MHC class I a alleles based on the novel parameters of amino acids.

Juan Wang, Yong Lin, Yuanqiang Wang, 2011, Protein and peptide letters.

3D-QSAR, HQSAR, molecular docking, and new compound design study of 1,3,6-trisubstituted 1,4-diazepan-7-ones as human KLK7 inhibitors

Rui Wang, M. Shu, Zhi-Hua Lin, 2020, Medicinal Chemistry Research.

Scores of amino acid 0D-3D information as applied in cleavage site prediction and better specificity elucidation for human immunodeficiency virus type 1 protease

M. Shu, Zhiliang Li, G. Liang, 2008 .

Predicting the activity of antimicrobial peptides with amino acid topological information.

Rui Yu, Juan Wang, M. Shu, 2012, Medicinal chemistry (Shariqah (United Arab Emirates)).

Molecular dynamics simulation of oseltamivir resistance in neuraminidase of avian influenza H5N1 virus

Zhihua Lin, Hu Mei, Mao Shu, 2011, Journal of molecular modeling.

Discovery of vascular endothelial growth factor receptor tyrosine kinase inhibitors by quantitative structure-activity relationships, molecular dynamics simulation and free energy calculation

Juan Wang, Yong Hu, Yuanqiang Wang, 2016 .

Identification of potential CCR5 inhibitors through pharmacophore-based virtual screening, molecular dynamics simulation and binding free energy analysis.

Juan Wang, Yong Hu, Yuanqiang Wang, 2016, Molecular bioSystems.

QSAR Study on Insect Neuropeptide Potencies Based on a Novel Set of Parameters of Amino Acids by Using OSC-PLS Method

Juan Wang, Yong Lin, Yuanqiang Wang, 2011, International Journal of Peptide Research and Therapeutics.

Arctigenin suppresses renal interstitial fibrosis in a rat model of obstructive nephropathy.

Rui Wang, M. Shu, Yitao Wang, 2017, Phytomedicine : international journal of phytotherapy and phytopharmacology.

Virtual Screening, Docking, Synthesis and Bioactivity Evaluation of Thiazolidinediones as Potential PPARγ Partial Agonists for Preparation of Antidiabetic Agents

Rui Wang, M. Shu, Zhi-Hua Lin, 2019, Letters in Drug Design & Discovery.

A novel vector of topological and structural information for amino acids and its QSAR applications for peptides and analogues

M. Shu, H. Mei, Zhiliang Li, 2008 .

Proteasomal cleavage site prediction of protein antigen using BP neural network based on a new set of amino acid descriptor

Rui Wang, Yong Lin, Yong Hu, 2013, Journal of Molecular Modeling.

3D-QSAR Studies of Dihydropyrazole and Dihydropyrrole Derivatives as Inhibitors of Human Mitotic Kinesin Eg5 Based on Molecular Docking

Jin Liu, Yuanqiang Wang, M. Shu, 2012, Molecules.

Recognition for avian influenza virus proteins based on support vector machine and linear discriminant analysis

Jun Yu Li, Guixue Wang, M. Shu, 2008, Science in China. Series B, Chemistry.

A New Set of Amino Acid Descriptors for the Development of Quantitative Sequence‐Activity Modelings of HLA‐A*0201 Restrictive CTL Epitopes

M. Shu, G. Liang, Sheng-Shi Z. L. Li, 2008 .

Combined 3D-QSAR modeling and molecular docking study on azacycles CCR5 antagonists

Rui Wang, Yong Lin, Yong Hu, 2013 .

Quantitative Structure–Activity Relationship Model for Prediction of Protein–Peptide Interaction Binding Affinities between Human Amphiphysin-1 SH3 Domains and Their Peptide Ligands

Yong Lin, Yuanqiang Wang, M. Shu, 2011, International Journal of Peptide Research and Therapeutics.

Identification of potential CAMKK2 inhibitors based on virtual screening and molecular dynamics simulation

M. Shu, Fei Li, Le Fu, 2022, Molecular Simulation.

Hypothyroidism Side Effect in Patients Treated with Sunitinib or Sorafenib: Clinical and Structural Analyses

Rui Wang, M. Shu, Zhi-Hua Lin, 2016, PloS one.

Combining virtual screening and in vitro evaluation for the discovery of potential CYP11B2 inhibitors.

Rui Wang, M. Shu, Zhi-Hua Lin, 2022, Future medicinal chemistry.

Three-dimensional quantitative structural-activity relationship and molecular dynamics study of multivariate substituted 4-oxyquinazoline HDAC6 inhibitors

Yuanqiang Wang, M. Shu, Zhi-Hua Lin, 2022, Molecular Diversity.

Versatile and efficient solid-phase syntheses of pyrazoles and isoxazoles.

M. Shu, K. Chapman, D. Shen, 2000, Organic letters.

AuCl3-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis.

Rui Wang, M. Shu, Zhi-Hua Lin, 2019, Chemistry.

A set of new amino acid descriptors applied in prediction of MHC class I binding peptides.

Hu Mei, Mao Shu, Zhiliang Li, 2009, European journal of medicinal chemistry.

3D-QSAR and docking studies of 3-Pyridine heterocyclic derivatives as potent PI3K/mTOR inhibitors

Rui Wang, Yong Hu, Yuanqiang Wang, 2013 .

Combined 3D-QSAR and Molecular Docking Study on benzo[h][1,6]naphthyridin-2(1H)-one Analogs as mTOR Inhibitors

M. Shu, B. Wang, Z. Lin, 2018 .

3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors

M. Shu, W. Quan, Xuemin Zhao, 2023, Journal of Molecular Modeling.

On Three‐Dimensional Holographic Vector of Atomic Interaction Field Analysis for Influenza Neuraminidase Inhibitors

M. Shu, Zhiliang Li, G. Liang, 2009, Chemical biology & drug design.

A selectivity study of polysubstituted pyridinylimidazoles as dual inhibitors of JNK3 and p38α MAPK based on 3D-QSAR, molecular docking, and molecular dynamics simulation

Rui Wang, M. Shu, Le Fu, 2020, Structural Chemistry.

Virtual screening identifies tipranavir as a SIRT1 inhibitor with anti-hepatocarcinoma effect.

Q. Zhang, Juan Wang, Yong Hu, 2023, Future medicinal chemistry.

3D-QSAR, HQSAR, molecular docking, and new compound design study of 1,3,6-trisubstituted 1,4-diazepan-7-ones as human KLK7 inhibitors

Rui Wang, M. Shu, Tao Wu, 2020, Medicinal Chemistry Research.

3D-QSAR and Docking Studies on Pyrimidine Derivatives as CSF-1R Inhibitors

Juan Wang, Yong Lin, Yong Hu, 2020 .

Combined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors

Tengfei Liu, Li Yang, Li Chao, 2013, Journal of Computer-Aided Molecular Design.

Arctigenin suppresses renal interstitial fibrosis in a rat model of obstructive nephropathy.

Rui Wang, M. Shu, Yitao Wang, 2017, Phytomedicine.

Discovery of Multi‐Targets Neuraminidase Inhibitor Lead Compound Against Influenza H1N1 Virus A/WSN/33 Based on QSAR, Docking, Dynamics Simulation and Network Pharmacology

M. Shu, Jiaying Sun, Zhiping Zhang, 2022, ChemistrySelect.

3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors

M. Shu, W. Quan, Xuemin Zhao, 2023, Journal of Molecular Modeling.

Discovery of vascular endothelial growth factor receptor tyrosine kinase inhibitors by quantitative structure-activity relationships, molecular dynamics simulation and free energy calculation

Juan Wang, Yong Hu, M. Shu, 2016 .

Application of 'HESH' descriptors for the structure-activity relationships of antimicrobial peptides.

Hu Mei, Mao Shu, Zhiliang Li, 2009, Protein and peptide letters.