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418 related items for PubMed ID: 31284868
21. Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight into structure-based inhibitor design. Shen M, Zhou S, Li Y, Li D, Hou T. Mol Biosyst; 2013 Oct; 9(10):2435-46. PubMed ID: 23881296 [Abstract] [Full Text] [Related]
22. Discovery of novel and highly potential inhibitors of glycogen synthase kinase 3-beta (GSK-3β) through structure-based pharmacophore modeling, virtual computational screening, docking and in silico ADMET analysis. Benghanem S, Mesli F, Fatima Zohra HA, Nacereddine C, Hadjer C, Abdellatif M. J Biomol Struct Dyn; 2024 Sep; 42(14):7091-7106. PubMed ID: 37498130 [Abstract] [Full Text] [Related]
23. 3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors. Chaube U, Bhatt H. Mol Divers; 2017 Aug; 21(3):741-759. PubMed ID: 28577112 [Abstract] [Full Text] [Related]
24. Molecular dynamics simulations reveal structural insights into inhibitor binding modes and mechanism of casein kinase II inhibitors. Ul-Haq Z, Ashraf S, Bkhaitan MM. J Biomol Struct Dyn; 2019 Mar; 37(5):1120-1135. PubMed ID: 29527958 [Abstract] [Full Text] [Related]
25. Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β. Kumar A, Srivastava G, Negi AS, Sharma A. J Biomol Struct Dyn; 2019 Feb; 37(2):275-290. PubMed ID: 29310523 [Abstract] [Full Text] [Related]
26. 3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation. Balasubramanian PK, Balupuri A, Bhujbal SP, Cho SJ. J Biomol Struct Dyn; 2019 May; 37(8):2165-2178. PubMed ID: 30044205 [Abstract] [Full Text] [Related]
27. Structural basis of valmerins as dual inhibitors of GSK3β/CDK5. Li X, Wang X, Tian Z, Zhao H, Liang D, Li W, Qiu Y, Lu S. J Mol Model; 2014 Sep; 20(9):2407. PubMed ID: 25142337 [Abstract] [Full Text] [Related]
28. Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations. Chen J, Pang L, Wang W, Wang L, Zhang JZH, Zhu T. J Biomol Struct Dyn; 2020 Mar; 38(4):985-996. PubMed ID: 30843759 [Abstract] [Full Text] [Related]
29. Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations. Ma S, Zeng G, Fang D, Wang J, Wu W, Xie W, Tan S, Zheng K. Mol Biosyst; 2015 Feb; 11(2):394-406. PubMed ID: 25406390 [Abstract] [Full Text] [Related]
30. Dissection of the difference between the group I metal ions in inhibiting GSK3β: a computational study. Lu SY, Jiang YJ, Zou JW, Wu TX. Phys Chem Chem Phys; 2011 Apr 21; 13(15):7014-23. PubMed ID: 21409189 [Abstract] [Full Text] [Related]
31. A new protocol for predicting novel GSK-3β ATP competitive inhibitors. Fang J, Huang D, Zhao W, Ge H, Luo HB, Xu J. J Chem Inf Model; 2011 Jun 27; 51(6):1431-8. PubMed ID: 21615159 [Abstract] [Full Text] [Related]
32. Computational study of paroxetine-like inhibitors reveals new molecular insight to inhibit GRK2 with selectivity over ROCK1. Keretsu S, Bhujbal SP, Joo Cho S. Sci Rep; 2019 Sep 10; 9(1):13053. PubMed ID: 31506468 [Abstract] [Full Text] [Related]
33. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations. Dong L, Feng R, Bi J, Shen S, Lu H, Zhang J. J Mol Model; 2018 Mar 06; 24(4):86. PubMed ID: 29511885 [Abstract] [Full Text] [Related]
34. Integrated molecular docking, 3D QSAR and molecular dynamics simulation studies on indole derivatives for designing new Pim-1 inhibitors. Peddi SR, Peddi SR, Sivan S, Veerati R, Manga V. J Recept Signal Transduct Res; 2020 Feb 06; 40(1):1-14. PubMed ID: 31931654 [Abstract] [Full Text] [Related]
35. In silico screening and identification of potential GSK3β inhibitors. Daggupati T, Pamanji R, Yeguvapalli S. J Recept Signal Transduct Res; 2018 Aug 06; 38(4):279-289. PubMed ID: 29947280 [Abstract] [Full Text] [Related]
36. Computational Investigations of Coumarin Derivatives as Cyclindependent Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation. Liu S, Li Y, Wei X, Zhang R, Zhang Y, Guo C. Curr Comput Aided Drug Des; 2022 Aug 06; 18(5):363-380. PubMed ID: 35980073 [Abstract] [Full Text] [Related]
37. Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach. Balasubramanian PK, Balupuri A, Cho SJ. Arch Pharm Res; 2016 Mar 06; 39(3):328-39. PubMed ID: 26699616 [Abstract] [Full Text] [Related]
38. Molecular dynamics and QM/MM-based 3D interaction analyses of cyclin-E inhibitors. Pasha FA, Neaz MM. J Mol Model; 2013 Feb 06; 19(2):879-91. PubMed ID: 23086460 [Abstract] [Full Text] [Related]
39. Discovery and anti-inflammatory evaluation of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β). Gao Y, Zhang P, Cui A, Ye DY, Xiang M, Chu Y. Bioorg Med Chem; 2018 Nov 01; 26(20):5479-5493. PubMed ID: 30293796 [Abstract] [Full Text] [Related]
40. Docking and quantitative structure-activity relationship of oxadiazole derivates as inhibitors of GSK3β. Quesada-Romero L, Caballero J. Mol Divers; 2014 Feb 01; 18(1):149-59. PubMed ID: 24081608 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]