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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

112 related items for PubMed ID: 10400338

  • 1. Estimation of the binding affinities of FKBP12 inhibitors using a linear response method.
    Lamb ML, Tirado-Rives J, Jorgensen WL.
    Bioorg Med Chem; 1999 May; 7(5):851-60. PubMed ID: 10400338
    [Abstract] [Full Text] [Related]

  • 2. Investigations of neurotrophic inhibitors of FK506 binding protein via Monte Carlo simulations.
    Lamb ML, Jorgensen WL.
    J Med Chem; 1998 Oct 08; 41(21):3928-39. PubMed ID: 9767630
    [Abstract] [Full Text] [Related]

  • 3. Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.
    Smith RH, Jorgensen WL, Tirado-Rives J, Lamb ML, Janssen PA, Michejda CJ, Kroeger Smith MB.
    J Med Chem; 1998 Dec 17; 41(26):5272-86. PubMed ID: 9857095
    [Abstract] [Full Text] [Related]

  • 4. Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method.
    Jones-Hertzog DK, Jorgensen WL.
    J Med Chem; 1997 May 09; 40(10):1539-49. PubMed ID: 9154975
    [Abstract] [Full Text] [Related]

  • 5. Molecular anchors with large stability gaps ensure linear binding free energy relationships for hydrophobic substituents.
    Rejto PA, Verkhivker GM.
    Pac Symp Biocomput; 1998 May 09; ():362-73. PubMed ID: 9697196
    [Abstract] [Full Text] [Related]

  • 6. Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity.
    Smith MB, Lamb ML, Tirado-Rives J, Jorgensen WL, Michejda CJ, Ruby SK, Smith RH.
    Protein Eng; 2000 Jun 09; 13(6):413-21. PubMed ID: 10877852
    [Abstract] [Full Text] [Related]

  • 7. Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations.
    Pierce AC, Jorgensen WL.
    J Med Chem; 2001 Mar 29; 44(7):1043-50. PubMed ID: 11297451
    [Abstract] [Full Text] [Related]

  • 8.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 9.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 10. A computational analysis of the binding affinities of FKBP12 inhibitors using the MM-PB/SA method.
    Xu Y, Wang R.
    Proteins; 2006 Sep 01; 64(4):1058-68. PubMed ID: 16838311
    [Abstract] [Full Text] [Related]

  • 11. Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials.
    Wang J, Deng Y, Roux B.
    Biophys J; 2006 Oct 15; 91(8):2798-814. PubMed ID: 16844742
    [Abstract] [Full Text] [Related]

  • 12.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 13. Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches.
    Miyamoto S, Kollman PA.
    Proteins; 1993 Jul 15; 16(3):226-45. PubMed ID: 8346190
    [Abstract] [Full Text] [Related]

  • 14. ES/IS: estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model.
    Vorobjev YN, Hermans J.
    Biophys Chem; 1999 Apr 05; 78(1-2):195-205. PubMed ID: 10343388
    [Abstract] [Full Text] [Related]

  • 15. Analyses of activity for factor Xa inhibitors based on Monte Carlo simulations.
    Ostrovsky D, Udier-Blagović M, Jorgensen WL.
    J Med Chem; 2003 Dec 18; 46(26):5691-9. PubMed ID: 14667222
    [Abstract] [Full Text] [Related]

  • 16. FKBP family proteins: immunophilins with versatile biological functions.
    Kang CB, Hong Y, Dhe-Paganon S, Yoon HS.
    Neurosignals; 2008 Dec 18; 16(4):318-25. PubMed ID: 18635947
    [Abstract] [Full Text] [Related]

  • 17.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 18. Improved estimation of ligand-macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods.
    Khandelwal A, Balaz S.
    J Comput Aided Mol Des; 2007 Dec 18; 21(1-3):131-7. PubMed ID: 17333483
    [Abstract] [Full Text] [Related]

  • 19. Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease.
    Sham YY, Chu ZT, Tao H, Warshel A.
    Proteins; 2000 Jun 01; 39(4):393-407. PubMed ID: 10813821
    [Abstract] [Full Text] [Related]

  • 20. The configurational dependence of binding free energies: a Poisson-Boltzmann study of Neuraminidase inhibitors.
    Woods CJ, King MA, Essex JW.
    J Comput Aided Mol Des; 2001 Feb 01; 15(2):129-44. PubMed ID: 11272700
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 6.