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Elsevier电子期刊(8)

在“Elsevier电子期刊”中，命中：8条，耗时：0.0239867 秒

在所有数据库中总计命中：19条

1.Novel non-peptide small molecules preventing IKKβ/NEMO association inhibit NF-κB activation in LPS-stimulated J774 macrophages

作者：Francesca De Falco¹ ; Carmen Di Giovanni¹ ; Carmen Cerchia ; Daniela De Stefano² ; Antonella Capuozzo ; Carlo Irace ; Teresa Iuvone ; Rita Santamaria ; Rosa Carnuccio ; ^{rosa.carnuccio@unina.it" class="auth_mail" title="E-mail the corresponding author} ; Antonio Lavecchia ; ^{antonio.lavecchia@unina.it" class="auth_mail" title="E-mail the corresponding author}

关键词：ADME ; absorption ; distribution ; metabolism ; and excretion ; DMEM ; Dulbecco&rsquo ; s modified Eagle&rsquo ; s medium ; DMSO ; dimethyl sulfoxide ; EMSA ; Electrophoretic Mobility Shift Assay ; Erk ; extracellular-signal-related kinase ; FBS ; foetal bovine serum ; GAPDH ; glyceraldehyde-3-phosphate dehydrogenase ; Glide SP ; Glide Single Precision ; Glide XP ; Glide extra precision ; H-bonds ; hydrogen bonds ; HTVS ; high-throughput virtual screening ; IKK ; IκB kinase ; iNOS ; inducible nitric-oxide synthase ; J774 macrop

刊名：Biochemical Pharmacology

出版年：2016

2.Pharmacophore modeling, 3D-QSAR and docking study of 2-phenylpyrimidine analogues as selective PDE4B inhibitors

作者：Naga Srinivas Tripuraneni^a ; ^b ; Mohammed Afzal Azam^a ; ^b ; ^{afzal9azam@hotmail.com" class="auth_mail" title="E-mail the corresponding author}

关键词：3D-QSAR ; 3 dimensional quantitative structure-activity relationship ; PLS ; partial least square ; RMSD ; root mean square deviation ; RMSE ; root mean square error ; SD ; standard deviation ; R2 ; correlation coefficient ; Q2 ; correlation coefficient for test set ; MM-GBSA ; Molecular Mechanics-Generalized Born Surface Area ; MD ; molecular dynamics ; Glide XP ; glide extra precision

刊名：Journal of Theoretical Biology

出版年：2016

3.Entry trajectory planning based on three-dimensional acceleration profile guidance

作者：Yuan-long Zhang^a ; ^{zhangyl_0728@163.com" class="auth_mail" title="E-mail the corresponding author} ; Ke-jun Chen^a ; Lu-hua Liu^a ; Guo-jian Tang^a ; Wei-min Bao^a ; ^b

关键词：Hypersonic glide vehicles ; Entry trajectory planning ; Guidance ; Three-dimensional acceleration profile

刊名：Aerospace Science and Technology

出版年：2016

4.Computer-aided identification of novel 3,5-substituted rhodanine derivatives with activity against Staphylococcus aureus DNA gyrase

作者：Malela M. Werner^a ; Zhiyu Li^b ; Randy J. Zauhar^a ; ^{r.zauhar@usciences.edu" class="auth_mail}

关键词：PNP ; purine nucleoside phosphorylase ; MESG ; 2-amino-6-mercapto-7-methylpurine ribose ; GLIDE XP ; grid-based ligand docking with energetics extra-precision ; OPLS ; optimized potentials for liquid simulations ; SPC water ; simple point charge water ; NPT ensemble ; isothermal&ndash ; isobaric ensemble ; RMSD ; root&ndash ; mean&ndash ; square deviation ; #rtvFG ; number of reactive functional groups ; SASA ; total solvent accessible surface area (SASA) in square angstroms using a probe with a 1.4 ; Å ; radiu

刊名：Bioorganic and Medicinal Chemistry

出版年：1 April, 2014

5.Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors

作者：Sunil Kumar Tripathi ; Ravikumar Muttineni ; Sanjeev Kumar Singh

关键词：Cell-cycle ; Glide XP docking ; MM-GBSA ; Binding free energy ; Biological activity

刊名：Journal of Theoretical Biology

出版年：2013

6.Potent inhibitors precise to S1¡ä loop of MMP-13, a crucial target for osteoarthritis

作者：Sukesh Kalva ; K. Saranyah ; P. Rathi Suganya ; M. Nisha ; Lilly M. Saleena

关键词：MMP-13 ; Pharmacophore ; Docking ; QSAR ; Zinc database ; E-model energies

刊名：Journal of Molecular Graphics and Modelling

出版年：2013

7.Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors

作者：Mahmoud Benltifa ; Joseph M. Hayes ; Sé ; bastien Vidal ; David Gueyrard ; Peter G. Goekjian ; Jean-Pierre Praly ; Gregory Kizilis ; Costas Tiraidis ; Kyra-Melinda Alexacou ; Evangelia D. Chrysina ; Spyros E.

关键词：Glycogen phosphorylase ; 1 ; 3-Dipolar cycloaddition ; Isoxazoline ; X-ray crystallography ; GLIDE docking calculations ; Quantum polarized ligand docking (QPLD)

刊名：Bioorganic and Medicinal Chemistry

出版年：2009

8.Molecular docking/dynamics studies of Aurora A kinase inhibitors

作者：Tanaji T. Talele ; Mark L. McLaughlin

关键词：Aurora A kinase ; Docking ; Molecular dynamics simulation

刊名：Journal of Molecular Graphics and Modelling

出版年：2008

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