BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

169 related articles for article (PubMed ID: 24089747)

  • 1. Nested sampling in the canonical ensemble: direct calculation of the partition function from NVT trajectories.
    Nielsen SO
    J Chem Phys; 2013 Sep; 139(12):124104. PubMed ID: 24089747
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems.
    Wilson BA; Gelb LD; Nielsen SO
    J Chem Phys; 2015 Oct; 143(15):154108. PubMed ID: 26493898
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations.
    Okamoto Y
    J Mol Graph Model; 2004 May; 22(5):425-39. PubMed ID: 15099838
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Enhanced sampling algorithms.
    Mitsutake A; Mori Y; Okamoto Y
    Methods Mol Biol; 2013; 924():153-95. PubMed ID: 23034749
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ball-and-Stick Local Elevation Umbrella Sampling: Molecular Simulations Involving Enhanced Sampling within Conformational or Alchemical Subspaces of Low Internal Dimensionalities, Minimal Irrelevant Volumes, and Problem-Adapted Geometries.
    Hansen HS; Hünenberger PH
    J Chem Theory Comput; 2010 Sep; 6(9):2622-46. PubMed ID: 26616065
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multiple histogram reweighting method for the surface tension calculation.
    Ghoufi A; Goujon F; Lachet V; Malfreyt P
    J Chem Phys; 2008 Apr; 128(15):154718. PubMed ID: 18433269
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Grand canonical Monte Carlo simulations of vapor-liquid equilibria using a bias potential from an analytic equation of state.
    Castillo Sanchez JM; Danner T; Gross J
    J Chem Phys; 2013 Jun; 138(23):234106. PubMed ID: 23802950
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Phase coexistence in heterogeneous porous media: a new extension to Gibbs ensemble Monte Carlo simulation method.
    Puibasset J
    J Chem Phys; 2005 Apr; 122(13):134710. PubMed ID: 15847492
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Temperature-Accelerated Sampling and Amplified Collective Motion with Adiabatic Reweighting to Obtain Canonical Distributions and Ensemble Averages.
    Hu Y; Hong W; Shi Y; Liu H
    J Chem Theory Comput; 2012 Oct; 8(10):3777-92. PubMed ID: 26593019
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.
    Awasthi S; Kapil V; Nair NN
    J Comput Chem; 2016 Jun; 37(16):1413-24. PubMed ID: 27059305
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular exchange Monte Carlo: A generalized method for identity exchanges in grand canonical Monte Carlo simulations.
    Soroush Barhaghi M; Torabi K; Nejahi Y; Schwiebert L; Potoff JJ
    J Chem Phys; 2018 Aug; 149(7):072318. PubMed ID: 30134670
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ensemble simulations with discrete classical dynamics.
    Toxvaerd S
    J Chem Phys; 2013 Dec; 139(22):224106. PubMed ID: 24329055
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Thermodynamics and partitioning of homopolymers into a slit-A grand canonical Monte Carlo simulation study.
    Jiang W; Wang Y
    J Chem Phys; 2004 Aug; 121(8):3905-13. PubMed ID: 15303959
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular Dynamics and Monte Carlo simulations in the microcanonical ensemble: Quantitative comparison and reweighting techniques.
    Schierz P; Zierenberg J; Janke W
    J Chem Phys; 2015 Oct; 143(13):134114. PubMed ID: 26450299
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling.
    Gonzalez MA; Sanz E; McBride C; Abascal JL; Vega C; Valeriani C
    Phys Chem Chem Phys; 2014 Dec; 16(45):24913-9. PubMed ID: 25323418
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Simulating the kinetics and thermodynamics of transitions via forward flux/umbrella sampling.
    Borrero EE; Escobedo FA
    J Phys Chem B; 2009 May; 113(18):6434-45. PubMed ID: 19402728
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient sampling of atomic configurational spaces.
    Pártay LB; Bartók AP; Csányi G
    J Phys Chem B; 2010 Aug; 114(32):10502-12. PubMed ID: 20701382
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Bennett's acceptance ratio and histogram analysis methods enhanced by umbrella sampling along a reaction coordinate in configurational space.
    Kim I; Allen TW
    J Chem Phys; 2012 Apr; 136(16):164103. PubMed ID: 22559466
    [TBL] [Abstract][Full Text] [Related]  

  • 19. On the calculation of absolute free energies from molecular-dynamics or Monte Carlo data.
    Huang L; Makarov DE
    J Chem Phys; 2006 Feb; 124(6):64108. PubMed ID: 16483197
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Suitability of umbrella- and overlap-sampling methods for calculation of solid-phase free energies by molecular simulation.
    Tan TB; Schultz AJ; Kofke DA
    J Chem Phys; 2010 Jun; 132(21):214103. PubMed ID: 20528014
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.