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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

207 related articles for article (PubMed ID: 24432790)

  • 41. NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin.
    Gouda H; Sunazuka T; Hirose T; Iguchi K; Yamaotsu N; Sugawara A; Noguchi Y; Saito Y; Yamamoto T; Watanabe T; Shiomi K; Omura S; Hirono S
    Bioorg Med Chem; 2010 Aug; 18(16):5835-44. PubMed ID: 20667742
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Identification and neuroprotective evaluation of a potential c-Jun N-terminal kinase 3 inhibitor through structure-based virtual screening and in-vitro assay.
    Rajan RK; Ramanathan M
    J Comput Aided Mol Des; 2020 Jun; 34(6):671-682. PubMed ID: 32040807
    [TBL] [Abstract][Full Text] [Related]  

  • 43. A semiempirical approach to ligand-binding affinities: dependence on the Hamiltonian and corrections.
    Mikulskis P; Genheden S; Wichmann K; Ryde U
    J Comput Chem; 2012 May; 33(12):1179-89. PubMed ID: 22396176
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Ligand affinities predicted with the MM/PBSA method: dependence on the simulation method and the force field.
    Weis A; Katebzadeh K; Söderhjelm P; Nilsson I; Ryde U
    J Med Chem; 2006 Nov; 49(22):6596-606. PubMed ID: 17064078
    [TBL] [Abstract][Full Text] [Related]  

  • 45. An optimized MM/PBSA virtual screening approach applied to an HIV-1 gp41 fusion peptide inhibitor.
    Venken T; Krnavek D; Münch J; Kirchhoff F; Henklein P; De Maeyer M; Voet A
    Proteins; 2011 Nov; 79(11):3221-35. PubMed ID: 21989940
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase--evidence from molecular dynamics simulations and MM-PBSA calculations.
    Treesuwan W; Hannongbua S
    J Mol Graph Model; 2009; 27(8):921-9. PubMed ID: 19414275
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus: a molecular mechanics and molecular dynamics study.
    da Graça Thrige D; Buur JR; Jørgensen FS
    Biopolymers; 1997 Sep; 42(3):319-36. PubMed ID: 9279125
    [TBL] [Abstract][Full Text] [Related]  

  • 48. 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]  

  • 49. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
    Hou T; Zhu L; Chen L; Xu X
    J Chem Inf Comput Sci; 2003; 43(1):273-87. PubMed ID: 12546563
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: comparison of chrysin and flavopiridol.
    Tsitsanou KE; Hayes JM; Keramioti M; Mamais M; Oikonomakos NG; Kato A; Leonidas DD; Zographos SE
    Food Chem Toxicol; 2013 Nov; 61():14-27. PubMed ID: 23279842
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Insights into the thermal stabilization and conformational transitions of DNA by hyperthermophile protein Sso7d: molecular dynamics simulations and MM-PBSA analysis.
    Chen L; Zheng QC; Yu LY; Chu WT; Zhang JL; Xue Q; Zhang HX; Sun CC
    J Biomol Struct Dyn; 2012; 30(6):716-27. PubMed ID: 22731116
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach.
    Watanabe C; Watanabe H; Fukuzawa K; Parker LJ; Okiyama Y; Yuki H; Yokoyama S; Nakano H; Tanaka S; Honma T
    J Chem Inf Model; 2017 Dec; 57(12):2996-3010. PubMed ID: 29111719
    [TBL] [Abstract][Full Text] [Related]  

  • 53. 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]  

  • 54. Molecular docking with ligand attached water molecules.
    Lie MA; Thomsen R; Pedersen CN; Schiøtt B; Christensen MH
    J Chem Inf Model; 2011 Apr; 51(4):909-17. PubMed ID: 21452852
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Optimizing electrostatic field calculations with the Adaptive Poisson-Boltzmann Solver to predict electric fields at protein-protein interfaces II: explicit near-probe and hydrogen-bonding water molecules.
    Ritchie AW; Webb LJ
    J Phys Chem B; 2014 Jul; 118(28):7692-702. PubMed ID: 24446740
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Structure modeling, ligand binding, and binding affinity calculation (LR-MM-PBSA) of human heparanase for inhibition and drug design.
    Zhou Z; Bates M; Madura JD
    Proteins; 2006 Nov; 65(3):580-92. PubMed ID: 16972282
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy.
    Swanson JM; Henchman RH; McCammon JA
    Biophys J; 2004 Jan; 86(1 Pt 1):67-74. PubMed ID: 14695250
    [TBL] [Abstract][Full Text] [Related]  

  • 58. What determines the van der Waals coefficient beta in the LIE (linear interaction energy) method to estimate binding free energies using molecular dynamics simulations?
    Wang W; Wang J; Kollman PA
    Proteins; 1999 Feb; 34(3):395-402. PubMed ID: 10024025
    [TBL] [Abstract][Full Text] [Related]  

  • 59. A contribution to the drug resistance mechanism of darunavir, amprenavir, indinavir, and saquinavir complexes with HIV-1 protease due to flap mutation I50V: a systematic MM-PBSA and thermodynamic integration study.
    Leonis G; Steinbrecher T; Papadopoulos MG
    J Chem Inf Model; 2013 Aug; 53(8):2141-53. PubMed ID: 23834142
    [TBL] [Abstract][Full Text] [Related]  

  • 60. A multistep approach to structure-based drug design: studying ligand binding at the human neutrophil elastase.
    Steinbrecher T; Case DA; Labahn A
    J Med Chem; 2006 Mar; 49(6):1837-44. PubMed ID: 16539369
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.