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 *

385 related articles for article (PubMed ID: 16851777)

  • 1. Biased sampling of nonequilibrium trajectories: can fast switching simulations outperform conventional free energy calculation methods?
    Oberhofer H; Dellago C; Geissler PL
    J Phys Chem B; 2005 Apr; 109(14):6902-15. PubMed ID: 16851777
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Model for small-sample bias of free-energy calculations applied to Gaussian-distributed nonequilibrium work measurements.
    Wu D; Kofke DA
    J Chem Phys; 2004 Nov; 121(18):8742-7. PubMed ID: 15527337
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Equilibrium free energies from fast-switching trajectories with large time steps.
    Lechner W; Oberhofer H; Dellago C; Geissler PL
    J Chem Phys; 2006 Jan; 124(4):044113. PubMed ID: 16460155
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Calculation of conformation-dependent biomolecular forces.
    Hwang W
    J Chem Phys; 2007 Nov; 127(17):175104. PubMed ID: 17994854
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Measurement of nonequilibrium entropy from space-time thermodynamic integration.
    Athènes M; Adjanor G
    J Chem Phys; 2008 Jul; 129(2):024116. PubMed ID: 18624525
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Optimizing the switching function for nonequilibrium free-energy calculations: an on-the-fly approach.
    Lindberg GE; Berkelbach TC; Wang F
    J Chem Phys; 2009 May; 130(17):174705. PubMed ID: 19425796
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Entropy-energy decomposition from nonequilibrium work trajectories.
    Nummela J; Yassin F; Andricioaei I
    J Chem Phys; 2008 Jan; 128(2):024104. PubMed ID: 18205440
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A skewed-momenta method to efficiently generate conformational-transition trajectories.
    MacFadyen J; Andricioaei I
    J Chem Phys; 2005 Aug; 123(7):074107. PubMed ID: 16229559
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Overcoming entropic barrier with coupled sampling at dual resolutions.
    Lwin TZ; Luo R
    J Chem Phys; 2005 Nov; 123(19):194904. PubMed ID: 16321110
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling.
    Valeriani C; Allen RJ; Morelli MJ; Frenkel D; Rein ten Wolde P
    J Chem Phys; 2007 Sep; 127(11):114109. PubMed ID: 17887830
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Density-dependent analysis of nonequilibrium paths improves free energy estimates II. A Feynman-Kac formalism.
    Minh DD; Vaikuntanathan S
    J Chem Phys; 2011 Jan; 134(3):034117. PubMed ID: 21261340
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Equilibrium free energy estimates based on nonequilibrium work relations and extended dynamics.
    Atilgan E; Sun SX
    J Chem Phys; 2004 Dec; 121(21):10392-400. PubMed ID: 15549919
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration.
    Shirts MR; Pande VS
    J Chem Phys; 2005 Apr; 122(14):144107. PubMed ID: 15847516
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A general framework for non-Boltzmann Monte Carlo sampling.
    Abreu CR; Escobedo FA
    J Chem Phys; 2006 Feb; 124(5):054116. PubMed ID: 16468860
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method.
    Cheluvaraja S; Meirovitch H
    J Chem Phys; 2006 Jul; 125(2):24905. PubMed ID: 16848609
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Evaluation of efficiency of reference potential spatial warping algorithm in conformational sampling of peptides.
    Ishitani R; Shimizu K; Terada T
    J Chem Phys; 2006 Jun; 124(21):214902. PubMed ID: 16774437
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Calculating potentials of mean force and diffusion coefficients from nonequilibrium processes without Jarzynski's equality.
    Kosztin I; Barz B; Janosi L
    J Chem Phys; 2006 Feb; 124(6):64106. PubMed ID: 16483195
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Tracing the minimum-energy path on the free-energy surface.
    Fleurat-Lessard P; Ziegler T
    J Chem Phys; 2005 Aug; 123(8):084101. PubMed ID: 16164276
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Error analysis and efficient sampling in Markovian state models for molecular dynamics.
    Singhal N; Pande VS
    J Chem Phys; 2005 Nov; 123(20):204909. PubMed ID: 16351319
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 20.