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 *

456 related articles for article (PubMed ID: 11340059)

  • 1. Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions.
    Wang W; Donini O; Reyes CM; Kollman PA
    Annu Rev Biophys Biomol Struct; 2001; 30():211-43. PubMed ID: 11340059
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparison of protein force fields for molecular dynamics simulations.
    Guvench O; MacKerell AD
    Methods Mol Biol; 2008; 443():63-88. PubMed ID: 18446282
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Possibilities of the method of step-by-step complication of ligand structure in studies of protein--nucleic acid interactions: mechanisms of functioning of some replication, repair, topoisomerization, and restriction enzymes.
    Bugreev DV; Nevinsky GA
    Biochemistry (Mosc); 1999 Mar; 64(3):237-49. PubMed ID: 10205294
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies.
    Bryce RA
    Future Med Chem; 2011 Apr; 3(6):683-98. PubMed ID: 21554075
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 6. How enzymes work: analysis by modern rate theory and computer simulations.
    Garcia-Viloca M; Gao J; Karplus M; Truhlar DG
    Science; 2004 Jan; 303(5655):186-95. PubMed ID: 14716003
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular recognition of RNA: challenges for modelling interactions and plasticity.
    Fulle S; Gohlke H
    J Mol Recognit; 2010; 23(2):220-31. PubMed ID: 19941322
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Physics-based methods for studying protein-ligand interactions.
    Huang N; Jacobson MP
    Curr Opin Drug Discov Devel; 2007 May; 10(3):325-31. PubMed ID: 17554859
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The Role of Molecular Dynamics Potential of Mean Force Calculations in the Investigation of Enzyme Catalysis.
    Yang Y; Pan L; Lightstone FC; Merz KM
    Methods Enzymol; 2016; 577():1-29. PubMed ID: 27498632
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computer simulations of enzyme catalysis: methods, progress, and insights.
    Warshel A
    Annu Rev Biophys Biomol Struct; 2003; 32():425-43. PubMed ID: 12574064
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin.
    Rao SN; Singh UC; Bash PA; Kollman PA
    Nature; 1987 Aug 6-12; 328(6130):551-4. PubMed ID: 3302725
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Understanding noncovalent interactions: ligand binding energy and catalytic efficiency from ligand-induced reductions in motion within receptors and enzymes.
    Williams DH; Stephens E; O'Brien DP; Zhou M
    Angew Chem Int Ed Engl; 2004 Dec; 43(48):6596-616. PubMed ID: 15593167
    [TBL] [Abstract][Full Text] [Related]  

  • 13. PEARLS: program for energetic analysis of receptor-ligand system.
    Han LY; Lin HH; Li ZR; Zheng CJ; Cao ZW; Xie B; Chen YZ
    J Chem Inf Model; 2006; 46(1):445-50. PubMed ID: 16426079
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Differential role of the protein matrix on the binding of a catalytic aspartate to Mg2+ vs Ca2+: application to ribonuclease H.
    Babu CS; Dudev T; Lim C
    J Am Chem Soc; 2013 May; 135(17):6541-8. PubMed ID: 23577985
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.
    Gao J; Major DT; Fan Y; Lin YL; Ma S; Wong KY
    Methods Mol Biol; 2008; 443():37-62. PubMed ID: 18446281
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical aspects of the biological catch bond.
    Prezhdo OV; Pereverzev YV
    Acc Chem Res; 2009 Jun; 42(6):693-703. PubMed ID: 19331389
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Communication: Quantum polarized fluctuating charge model: a practical method to include ligand polarizability in biomolecular simulations.
    Kimura SR; Rajamani R; Langley DR
    J Chem Phys; 2011 Dec; 135(23):231101. PubMed ID: 22191857
    [TBL] [Abstract][Full Text] [Related]  

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

  • 19. Molecular mechanics methods for predicting protein-ligand binding.
    Huang N; Kalyanaraman C; Bernacki K; Jacobson MP
    Phys Chem Chem Phys; 2006 Nov; 8(44):5166-77. PubMed ID: 17203140
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Minimum sequence requirements for selective RNA-ligand binding: a molecular mechanics algorithm using molecular dynamics and free-energy techniques.
    Anderson PC; Mecozzi S
    J Comput Chem; 2006 Nov; 27(14):1631-40. PubMed ID: 16900493
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 23.