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 *

187 related articles for article (PubMed ID: 18307167)

  • 1. Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories.
    Monticelli L; Sorin EJ; Tieleman DP; Pande VS; Colombo G
    J Comput Chem; 2008 Aug; 29(11):1740-52. PubMed ID: 18307167
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Reproducible polypeptide folding and structure prediction using molecular dynamics simulations.
    Seibert MM; Patriksson A; Hess B; van der Spoel D
    J Mol Biol; 2005 Nov; 354(1):173-83. PubMed ID: 16236315
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Assessing equilibration and convergence in biomolecular simulations.
    Smith LJ; Daura X; van Gunsteren WF
    Proteins; 2002 Aug; 48(3):487-96. PubMed ID: 12112673
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Long-timescale molecular dynamics simulations of protein structure and function.
    Klepeis JL; Lindorff-Larsen K; Dror RO; Shaw DE
    Curr Opin Struct Biol; 2009 Apr; 19(2):120-7. PubMed ID: 19361980
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent.
    Periole X; Mark AE
    J Chem Phys; 2007 Jan; 126(1):014903. PubMed ID: 17212515
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Thermodynamic and kinetic characterization of a beta-hairpin peptide in solution: an extended phase space sampling by molecular dynamics simulations in explicit water.
    Daidone I; Amadei A; Di Nola A
    Proteins; 2005 May; 59(3):510-8. PubMed ID: 15789436
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Sampling of states for estimating the folding funnel entropy and energy landscape of a model alpha-helical hairpin peptide.
    Chapagain PP; Parra JL; Gerstman BS; Liu Y
    J Chem Phys; 2007 Aug; 127(7):075103. PubMed ID: 17718634
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulations.
    Loccisano AE; Acevedo O; DeChancie J; Schulze BG; Evanseck JD
    J Mol Graph Model; 2004 May; 22(5):369-76. PubMed ID: 15099833
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Multiple loop conformations of peptides predicted by molecular dynamics simulations are compatible with nuclear magnetic resonance.
    Carstens H; Renner C; Milbradt AG; Moroder L; Tavan P
    Biochemistry; 2005 Mar; 44(12):4829-40. PubMed ID: 15779909
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: the myoglobin case.
    Papaleo E; Mereghetti P; Fantucci P; Grandori R; De Gioia L
    J Mol Graph Model; 2009; 27(8):889-99. PubMed ID: 19264523
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Exploring multiple timescale motions in protein GB3 using accelerated molecular dynamics and NMR spectroscopy.
    Markwick PR; Bouvignies G; Blackledge M
    J Am Chem Soc; 2007 Apr; 129(15):4724-30. PubMed ID: 17375925
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Folding and unfolding of two mixed alpha/beta peptides.
    Wang D; Jaun B; van Gunsteren WF
    Chembiochem; 2009 Aug; 10(12):2032-41. PubMed ID: 19575368
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Mechanism of helix nucleation and propagation: microscopic view from microsecond time scale MD simulations.
    Monticelli L; Tieleman DP; Colombo G
    J Phys Chem B; 2005 Nov; 109(43):20064-7. PubMed ID: 16853593
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study.
    de Oliveira CA; Hamelberg D; McCammon JA
    J Chem Phys; 2007 Nov; 127(17):175105. PubMed ID: 17994855
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Sampling of slow diffusive conformational transitions with accelerated molecular dynamics.
    Hamelberg D; de Oliveira CA; McCammon JA
    J Chem Phys; 2007 Oct; 127(15):155102. PubMed ID: 17949218
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.
    Chebaro Y; Dong X; Laghaei R; Derreumaux P; Mousseau N
    J Phys Chem B; 2009 Jan; 113(1):267-74. PubMed ID: 19067549
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structural analysis of substance P using molecular dynamics and NMR spectroscopy.
    Corcho FJ; Salvatella X; Canto J; Giralt E; Perez JJ
    J Pept Sci; 2007 Nov; 13(11):728-41. PubMed ID: 17847018
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Dihedral angle principal component analysis of molecular dynamics simulations.
    Altis A; Nguyen PH; Hegger R; Stock G
    J Chem Phys; 2007 Jun; 126(24):244111. PubMed ID: 17614541
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Peptide folding using multiscale coarse-grained models.
    Thorpe IF; Zhou J; Voth GA
    J Phys Chem B; 2008 Oct; 112(41):13079-90. PubMed ID: 18808094
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Investigation of conformational equilibrium of polypeptides by internal coordinate stochastic dynamics. Met5-enkephalin.
    Dorofeyev VE; Mazur AK
    J Biomol Struct Dyn; 1993 Aug; 11(1):143-67. PubMed ID: 8216941
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.