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Journal Abstract Search

1207 related items for PubMed ID: 23340525

  • 21. An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors.
    Xie H, Li Y, Yu F, Xie X, Qiu K, Fu J.
    Int J Mol Sci; 2015 Nov 16; 16(11):27350-61. PubMed ID: 26580609
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  • 22. Design, virtual screening, molecular docking and molecular dynamics studies of novel urushiol derivatives as potential HDAC2 selective inhibitors.
    Zhou H, Wang C, Ye J, Chen H, Tao R.
    Gene; 2017 Dec 30; 637():63-71. PubMed ID: 28939339
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  • 23. Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.
    Tang X, Wang Z, Lei T, Zhou W, Chang S, Li D.
    Phys Chem Chem Phys; 2018 Feb 21; 20(8):5591-5605. PubMed ID: 29270587
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  • 24. Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors.
    Kong X, Pan P, Li D, Tian S, Li Y, Hou T.
    Phys Chem Chem Phys; 2015 Feb 28; 17(8):6098-113. PubMed ID: 25644934
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  • 25. Binding mechanism of CDK5 with roscovitine derivatives based on molecular dynamics simulations and MM/PBSA methods.
    Dong K, Wang X, Yang X, Zhu X.
    J Mol Graph Model; 2016 Jul 28; 68():57-67. PubMed ID: 27371933
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  • 26. Molecular modeling study of CP-690550 derivatives as JAK3 kinase inhibitors through combined 3D-QSAR, molecular docking, and dynamics simulation techniques.
    Wang JL, Cheng LP, Wang TC, Deng W, Wu FH.
    J Mol Graph Model; 2017 Mar 28; 72():178-186. PubMed ID: 28107751
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  • 27. Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation.
    Du J, Sun H, Xi L, Li J, Yang Y, Liu H, Yao X.
    J Comput Chem; 2011 Oct 28; 32(13):2800-9. PubMed ID: 21717478
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  • 28. Molecular dynamics simulation, free energy calculation and structure-based 3D-QSAR studies of B-RAF kinase inhibitors.
    Yang Y, Qin J, Liu H, Yao X.
    J Chem Inf Model; 2011 Mar 28; 51(3):680-92. PubMed ID: 21338122
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  • 29. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
    Iqbal S, Anantha Krishnan D, Gunasekaran K.
    J Biomol Struct Dyn; 2018 Nov 28; 36(15):4029-4044. PubMed ID: 29182053
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  • 30. Discovery of (S)-6-methoxy-chroman-3-carboxylic acid (4-pyridin-4-yl-phenyl)-amide as potent and isoform selective ROCK2 inhibitors.
    Pan J, Yin Y, Zhao L, Feng Y.
    Bioorg Med Chem; 2019 Apr 01; 27(7):1382-1390. PubMed ID: 30819619
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  • 31. Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK.
    Kong X, Sun H, Pan P, Zhu F, Chang S, Xu L, Li Y, Hou T.
    Phys Chem Chem Phys; 2018 Feb 14; 20(7):4851-4863. PubMed ID: 29383359
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  • 32. Computational determination of binding structures and free energies of glucose 6-phosphate dehydrogenase with novel steroid inhibitors.
    Zhao ZB, Liu Y, Yao Y.
    J Mol Graph Model; 2014 Jun 14; 51():168-72. PubMed ID: 24929815
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  • 33. Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors.
    Tripathi SK, Muttineni R, Singh SK.
    J Theor Biol; 2013 Oct 07; 334():87-100. PubMed ID: 23727278
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  • 34. Novel urushiol derivatives as HDAC8 inhibitors: rational design, virtual screening, molecular docking and molecular dynamics studies.
    Zhou H, Wang C, Deng T, Tao R, Li W.
    J Biomol Struct Dyn; 2018 Jun 07; 36(8):1966-1978. PubMed ID: 28632421
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  • 35. Probing the binding mechanism of mercaptoguanine derivatives as inhibitors of HPPK by docking and molecular dynamics simulations.
    Marimuthu P, Singaravelu K, Namasivayam V.
    J Biomol Struct Dyn; 2017 Dec 07; 35(16):3507-3521. PubMed ID: 27844507
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  • 36. Insight into the binding mode between N-methyl pyrimidones and prototype foamy virus integrase-DNA complex by QM-polarized ligand docking and molecular dynamics simulations.
    Reddy KK, Singh SK.
    Curr Top Med Chem; 2015 Dec 07; 15(1):43-9. PubMed ID: 25579571
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  • 37. Molecular modeling and molecular dynamics simulation studies on pyrrolopyrimidine-based α-helix mimetic as dual inhibitors of MDM2 and MDMX.
    Lu SY, Jiang YJ, Zou JW, Wu TX.
    J Mol Graph Model; 2011 Sep 07; 30():167-78. PubMed ID: 21820342
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  • 38. Investigating molecular dynamics-guided lead optimization of EGFR inhibitors.
    Lavecchia MJ, Puig de la Bellacasa R, Borrell JI, Cavasotto CN.
    Bioorg Med Chem; 2016 Feb 15; 24(4):768-78. PubMed ID: 26810832
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  • 39. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors.
    Venugopal PP, Das BK, Soorya E, Chakraborty D.
    Proteins; 2020 Feb 15; 88(2):327-344. PubMed ID: 31443129
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  • 40. Insight into mechanism of small molecule inhibitors of the MDM2-p53 interaction: molecular dynamics simulation and free energy analysis.
    Chen J, Wang J, Xu B, Zhu W, Li G.
    J Mol Graph Model; 2011 Sep 15; 30():46-53. PubMed ID: 21764342
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