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 *

138 related articles for article (PubMed ID: 21970362)

  • 1. A GRID-derived water network stabilizes molecular dynamics computer simulations of a protease.
    Wallnoefer HG; Liedl KR; Fox T
    J Chem Inf Model; 2011 Nov; 51(11):2860-7. PubMed ID: 21970362
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Stabilizing of a globular protein by a highly complex water network: a molecular dynamics simulation study on factor Xa.
    Wallnoefer HG; Handschuh S; Liedl KR; Fox T
    J Phys Chem B; 2010 Jun; 114(21):7405-12. PubMed ID: 20446703
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A challenging system: free energy prediction for factor Xa.
    Wallnoefer HG; Liedl KR; Fox T
    J Comput Chem; 2011 Jun; 32(8):1743-52. PubMed ID: 21374633
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Prediction of solvation sites at the interface of Src SH2 domain complexes using molecular dynamics simulations.
    Geroult S; Hooda M; Virdee S; Waksman G
    Chem Biol Drug Des; 2007 Aug; 70(2):87-99. PubMed ID: 17683370
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular dynamics study of water penetration in staphylococcal nuclease.
    Damjanović A; García-Moreno B; Lattman EE; García AE
    Proteins; 2005 Aug; 60(3):433-49. PubMed ID: 15971206
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
    Hassan SA; Mehler EL; Zhang D; Weinstein H
    Proteins; 2003 Apr; 51(1):109-25. PubMed ID: 12596268
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Refinement of X-ray data on dual cosubstrate specificity of CK2 kinase by free energy calculations based on molecular dynamics simulation.
    Setny P; Geller M
    Proteins; 2005 Feb; 58(3):511-7. PubMed ID: 15624214
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches.
    Bhunia SS; Roy KK; Saxena AK
    J Chem Inf Model; 2011 Aug; 51(8):1966-85. PubMed ID: 21761917
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding site.
    Cappel D; Wahlström R; Brenk R; Sotriffer CA
    J Chem Inf Model; 2011 Oct; 51(10):2581-94. PubMed ID: 21916516
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Characterization of the denaturation of human alpha-lactalbumin in urea by molecular dynamics simulations.
    Smith LJ; Jones RM; van Gunsteren WF
    Proteins; 2005 Feb; 58(2):439-49. PubMed ID: 15558602
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Completion and refinement of 3-D homology models with restricted molecular dynamics: application to targets 47, 58, and 111 in the CASP modeling competition and posterior analysis.
    Flohil JA; Vriend G; Berendsen HJ
    Proteins; 2002 Sep; 48(4):593-604. PubMed ID: 12211026
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computational study of IAG-nucleoside hydrolase: determination of the preferred ground state conformation and the role of active site residues.
    Mazumder-Shivakumar D; Bruice TC
    Biochemistry; 2005 May; 44(21):7805-17. PubMed ID: 15909995
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Frontiers in molecular dynamics simulations of DNA.
    Pérez A; Luque FJ; Orozco M
    Acc Chem Res; 2012 Feb; 45(2):196-205. PubMed ID: 21830782
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A holistic approach to protein docking.
    Qin S; Zhou HX
    Proteins; 2007 Dec; 69(4):743-9. PubMed ID: 17803232
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Deducing hydration sites of a protein from molecular dynamics simulations.
    Madhusudhan MS; Vishveshwara S
    J Biomol Struct Dyn; 2001 Aug; 19(1):105-14. PubMed ID: 11565842
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A short guide for molecular dynamics simulations of RNA systems.
    Hashem Y; Auffinger P
    Methods; 2009 Mar; 47(3):187-97. PubMed ID: 18930152
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure, dynamics, and interactions of jacalin. Insights from molecular dynamics simulations examined in conjunction with results of X-ray studies.
    Sharma A; Sekar K; Vijayan M
    Proteins; 2009 Dec; 77(4):760-77. PubMed ID: 19544573
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory.
    Yonetani Y; Maruyama Y; Hirata F; Kono H
    J Chem Phys; 2008 May; 128(18):185102. PubMed ID: 18532849
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structural dynamics of the box C/D RNA kink-turn and its complex with proteins: the role of the A-minor 0 interaction, long-residency water bridges, and structural ion-binding sites revealed by molecular simulations.
    Spacková N; Réblová K; Sponer J
    J Phys Chem B; 2010 Aug; 114(32):10581-93. PubMed ID: 20701388
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.
    Qvist J; Schober H; Halle B
    J Chem Phys; 2011 Apr; 134(14):144508. PubMed ID: 21495765
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.