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 *

157 related articles for article (PubMed ID: 17918879)

  • 1. Hamiltonian and distance replica exchange method studies of Met-enkephalin.
    Su L; Cukier RI
    J Phys Chem B; 2007 Oct; 111(42):12310-21. PubMed ID: 17918879
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular dynamics of apo-adenylate kinase: a distance replica exchange method for the free energy of conformational fluctuations.
    Lou H; Cukier RI
    J Phys Chem B; 2006 Nov; 110(47):24121-37. PubMed ID: 17125384
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping.
    Frickenhaus S; Kannan S; Zacharias M
    J Comput Chem; 2009 Feb; 30(3):479-92. PubMed ID: 18680215
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Enhanced sampling of peptide and protein conformations using replica exchange simulations with a peptide backbone biasing-potential.
    Kannan S; Zacharias M
    Proteins; 2007 Feb; 66(3):697-706. PubMed ID: 17120231
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hamiltonian replica exchange method studies of a leucine zipper dimer.
    Su L; Cukier RI
    J Phys Chem B; 2009 Jul; 113(28):9595-605. PubMed ID: 19586073
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Hamiltonian replica exchange method study of Escherichia coli and Yersinia pestis HPPK.
    Su L; Cukier RI
    J Phys Chem B; 2009 Dec; 113(50):16197-208. PubMed ID: 19924845
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Free energy landscapes of peptides by enhanced conformational sampling.
    Nakajima N; Higo J; Kidera A; Nakamura H
    J Mol Biol; 2000 Feb; 296(1):197-216. PubMed ID: 10656827
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Thermodynamics of a reverse turn motif. Solvent effects and side-chain packing.
    Demchuk E; Bashford D; Gippert GP; Case DA
    J Mol Biol; 1997 Jul; 270(2):305-17. PubMed ID: 9236131
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory.
    Banerjee R; Cukier RI
    J Phys Chem B; 2014 Mar; 118(11):2883-95. PubMed ID: 24571787
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical studies of transition states by the multioverlap molecular dynamics methods.
    Itoh SG; Okamoto Y
    J Chem Phys; 2006 Mar; 124(10):104103. PubMed ID: 16542064
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multiple scaling replica exchange for the conformational sampling of biomolecules in explicit water.
    Kamberaj H; van der Vaart A
    J Chem Phys; 2007 Dec; 127(23):234102. PubMed ID: 18154370
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approach.
    Curuksu J; Zacharias M
    J Chem Phys; 2009 Mar; 130(10):104110. PubMed ID: 19292526
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio prediction of protein-ligand binding structures by replica-exchange umbrella sampling simulations.
    Kokubo H; Tanaka T; Okamoto Y
    J Comput Chem; 2011 Oct; 32(13):2810-21. PubMed ID: 21710634
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Evaluating the conformational entropy of macromolecules using an energy decomposition approach.
    Ohkubo YZ; Thorpe IF
    J Chem Phys; 2006 Jan; 124(2):024910. PubMed ID: 16422651
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Incorporating receptor flexibility in the molecular design of protein interfaces.
    Li L; Liang S; Pilcher MM; Meroueh SO
    Protein Eng Des Sel; 2009 Sep; 22(9):575-86. PubMed ID: 19643976
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Simulated annealing coupled replica exchange molecular dynamics--an efficient conformational sampling method.
    Kannan S; Zacharias M
    J Struct Biol; 2009 Jun; 166(3):288-94. PubMed ID: 19272454
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Apo adenylate kinase encodes its holo form: a principal component and varimax analysis.
    Cukier RI
    J Phys Chem B; 2009 Feb; 113(6):1662-72. PubMed ID: 19159290
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Relaxation mode analysis of a peptide system: comparison with principal component analysis.
    Mitsutake A; Iijima H; Takano H
    J Chem Phys; 2011 Oct; 135(16):164102. PubMed ID: 22047223
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.