These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
94 related articles for article (PubMed ID: 25363346)
1. Molecular dynamics approach to probe PKCβII-ligand interactions and influence of crystal water molecules on these interactions. Grewal BK; Bhat J; Sobhia ME Expert Opin Ther Targets; 2015 Jan; 19(1):13-23. PubMed ID: 25363346 [TBL] [Abstract][Full Text] [Related]
2. Scaffold hopping for identification of novel PKCβII inhibitors based on ligand and structural approaches, virtual screening and molecular dynamics study. Grewal BK; Sobhia ME Comb Chem High Throughput Screen; 2014 Jan; 17(1):2-11. PubMed ID: 24050690 [TBL] [Abstract][Full Text] [Related]
3. Structural basis of conformational variance in phosphorylated and non-phosphorylated states of PKCβII. Grewal BK; Krishnan RV; Sobhia ME Proteins; 2014 Jul; 82(7):1332-47. PubMed ID: 25050443 [TBL] [Abstract][Full Text] [Related]
4. Identification of specific features of inhibition of PKCβII and its potential lead by shape-based virtual screening and molecular docking studies. Grewal BK; Elizabeth Sobhia M Bioorg Med Chem Lett; 2012 Jul; 22(14):4672-7. PubMed ID: 22727642 [TBL] [Abstract][Full Text] [Related]
5. Structure of the catalytic domain of human protein kinase C beta II complexed with a bisindolylmaleimide inhibitor. Grodsky N; Li Y; Bouzida D; Love R; Jensen J; Nodes B; Nonomiya J; Grant S Biochemistry; 2006 Nov; 45(47):13970-81. PubMed ID: 17115692 [TBL] [Abstract][Full Text] [Related]
6. Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined. Hayes JM; Skamnaki VT; Archontis G; Lamprakis C; Sarrou J; Bischler N; Skaltsounis AL; Zographos SE; Oikonomakos NG Proteins; 2011 Mar; 79(3):703-19. PubMed ID: 21287607 [TBL] [Abstract][Full Text] [Related]
7. Protein kinase C isozymes and their selectivity towards ruboxistaurin. Tang S; Xiao V; Wei L; Whiteside CI; Kotra LP Proteins; 2008 Jul; 72(1):447-60. PubMed ID: 18214957 [TBL] [Abstract][Full Text] [Related]
8. Strong and weak hydrogen bonds in protein-ligand complexes of kinases: a comparative study. Panigrahi SK Amino Acids; 2008 May; 34(4):617-33. PubMed ID: 18180869 [TBL] [Abstract][Full Text] [Related]
9. Including explicit water molecules as part of the protein structure in MM/PBSA calculations. Zhu YL; Beroza P; Artis DR J Chem Inf Model; 2014 Feb; 54(2):462-9. PubMed ID: 24432790 [TBL] [Abstract][Full Text] [Related]
10. Activity prediction and structural insights of extracellular signal-regulated kinase 2 inhibitors with molecular dynamics simulations. Del Rio A; Baldi BF; Rastelli G Chem Biol Drug Des; 2009 Dec; 74(6):630-5. PubMed ID: 19843074 [TBL] [Abstract][Full Text] [Related]
11. Addressing limitations with the MM-GB/SA scoring procedure using the WaterMap method and free energy perturbation calculations. Guimarães CR; Mathiowetz AM J Chem Inf Model; 2010 Apr; 50(4):547-59. PubMed ID: 20235592 [TBL] [Abstract][Full Text] [Related]
12. Incorporating replacement free energy of binding-site waters in molecular docking. Sun H; Zhao L; Peng S; Huang N Proteins; 2014 Sep; 82(9):1765-76. PubMed ID: 24549784 [TBL] [Abstract][Full Text] [Related]
13. Inhibition of protein kinase C βII isoform ameliorates methylglyoxal advanced glycation endproduct-induced cardiomyocyte contractile dysfunction. Zhang L; Huang D; Shen D; Zhang C; Ma Y; Babcock SA; Chen B; Ren J Life Sci; 2014 Jan; 94(1):83-91. PubMed ID: 24269213 [TBL] [Abstract][Full Text] [Related]
14. Structural and dynamic roles of permanent water molecules in ligand molecular recognition by chicken liver bile acid binding protein. Ricchiuto P; Rocco AG; Gianazza E; Corrada D; Beringhelli T; Eberini I J Mol Recognit; 2008; 21(5):348-54. PubMed ID: 18654997 [TBL] [Abstract][Full Text] [Related]
15. Improving the scoring of protein-ligand binding affinity by including the effects of structural water and electronic polarization. Liu J; He X; Zhang JZ J Chem Inf Model; 2013 Jun; 53(6):1306-14. PubMed ID: 23651068 [TBL] [Abstract][Full Text] [Related]
16. Analysis of c-Met kinase domain complexes: a new specific catalytic site receptor model for defining binding modes of ATP-competitive ligands. Asses Y; Leroux V; Tairi-Kellou S; Dono R; Maina F; Maigret B Chem Biol Drug Des; 2009 Dec; 74(6):560-70. PubMed ID: 19909299 [TBL] [Abstract][Full Text] [Related]
17. Computational study on the interaction of N1 substituted pyrazole derivatives with B-raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the entrance of the active site. Alzate-Morales JH; Vergara-Jaque A; Caballero J J Chem Inf Model; 2010 Jun; 50(6):1101-12. PubMed ID: 20524689 [TBL] [Abstract][Full Text] [Related]
18. In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2. Ahmed M; Sadek MM; Abouzid KA; Wang F J Mol Graph Model; 2013 Jul; 44():220-31. PubMed ID: 23911931 [TBL] [Abstract][Full Text] [Related]
19. A Comprehensive Structural Overview of p38α Mitogen-Activated Protein Kinase in Complex with ATP-Site and Non-ATP-Site Binders. Astolfi A; Manfroni G; Cecchetti V; Barreca ML ChemMedChem; 2018 Jan; 13(1):7-14. PubMed ID: 29210532 [TBL] [Abstract][Full Text] [Related]
20. Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation of binding free energies of di-mannose deoxy analogs with P51G-m4-Cyanovirin-N. Vorontsov II; Miyashita O J Comput Chem; 2011 Apr; 32(6):1043-53. PubMed ID: 20949512 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]