BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

101 related articles for article (PubMed ID: 21389504)

  • 1. SpecSwap-RMC: a novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties.
    Leetmaa M; Wikfeldt KT; Pettersson LG
    J Phys Condens Matter; 2010 Apr; 22(13):135001. PubMed ID: 21389504
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Oxygen-oxygen correlations in liquid water: addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting technique.
    Wikfeldt KT; Leetmaa M; Mace A; Nilsson A; Pettersson LG
    J Chem Phys; 2010 Mar; 132(10):104513. PubMed ID: 20232977
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Efficient simultaneous reverse Monte Carlo modeling of pair-distribution functions and extended x-ray-absorption fine structure spectra of crystalline disordered materials.
    Németh K; Chapman KW; Balasubramanian M; Shyam B; Chupas PJ; Heald SM; Newville M; Klingler RJ; Winans RE; Almer JD; Sandi G; Srajer G
    J Chem Phys; 2012 Feb; 136(7):074105. PubMed ID: 22360234
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reverse Monte Carlo modeling of amorphous structures in phase-change In0.21Sb0.79 thin film.
    Arai T; Tani K; McGreevy RL
    J Phys Condens Matter; 2010 Oct; 22(40):404204. PubMed ID: 21386565
    [TBL] [Abstract][Full Text] [Related]  

  • 5. First example of multi-scale reverse Monte Carlo modeling for small-angle scattering experimental data using reverse mapping from coarse-grained particles to atoms.
    Hagita K; McGreevy RL; Arai T; Inui M; Matsuda K; Tamura K
    J Phys Condens Matter; 2010 Oct; 22(40):404215. PubMed ID: 21386576
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The First Eighteen Years of Reverse Monte Carlo Modelling, a workshop held in Budapest, Hungary (28-30th September 2006).
    Keen DA; Pusztai L
    J Phys Condens Matter; 2007 Aug; 19(33):330301. PubMed ID: 21694123
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Reverse Monte Carlo modeling of ion conducting network glasses: an evaluation based on molecular dynamics simulations.
    Müller CR; Kathriarachchi V; Schuch M; Maass P; Petkov VG
    Phys Chem Chem Phys; 2010 Sep; 12(35):10444-51. PubMed ID: 20585683
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Reverse Monte Carlo refinements of local displacive order in perovskites: AgNbO3 case study.
    Krayzman V; Levin I
    J Phys Condens Matter; 2010 Oct; 22(40):404201. PubMed ID: 21386562
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Hydrogen bonding and molecular aggregates in liquid methanol, ethanol, and 1-propanol.
    Vrhovšek A; Gereben O; Jamnik A; Pusztai L
    J Phys Chem B; 2011 Nov; 115(46):13473-88. PubMed ID: 21916497
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Global mapping of structural solutions provided by the extended X-ray absorption fine structure ab initio code FEFF 6.01: structure of the cryogenic photoproduct of the myoglobin-carbon monoxide complex.
    Chance MR; Miller LM; Fischetti RF; Scheuring E; Huang WX; Sclavi B; Hai Y; Sullivan M
    Biochemistry; 1996 Jul; 35(28):9014-23. PubMed ID: 8703904
    [TBL] [Abstract][Full Text] [Related]  

  • 11. RMCSANS--modelling the inter-particle term of small angle scattering data via the reverse Monte Carlo method.
    Gereben O; Pusztai L; McGreevy RL
    J Phys Condens Matter; 2010 Oct; 22(40):404216. PubMed ID: 21386577
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Coupling CP-MD simulations and X-ray absorption spectroscopy: exploring the structure of oxaliplatin in aqueous solution.
    Beret EC; Provost K; Müller D; Marcos ES
    J Phys Chem B; 2009 Sep; 113(36):12343-52. PubMed ID: 19685899
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Estimation of dye configuration from conventional chiroptical spectra of porphyrin integrates: combination of exciton theory with Monte Carlo molecular structural simulation.
    Yamamura T; Mori T; Tsuda Y; Taguchi T; Josha N
    J Phys Chem A; 2007 Mar; 111(11):2128-38. PubMed ID: 17388284
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method.
    Jain SK; Pellenq RJ; Pikunic JP; Gubbins KE
    Langmuir; 2006 Nov; 22(24):9942-8. PubMed ID: 17106983
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Fullrmc, a rigid body Reverse Monte Carlo modeling package enabled with machine learning and artificial intelligence.
    Aoun B
    J Comput Chem; 2016 May; 37(12):1102-11. PubMed ID: 26800289
    [TBL] [Abstract][Full Text] [Related]  

  • 16. About estimation of fitted parameters' statistical uncertainties in EXAFS. Critical approach on usual and Monte Carlo methods.
    Curis E; Bénazeth S
    J Synchrotron Radiat; 2005 May; 12(Pt 3):361-73. PubMed ID: 15840923
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Iterative reverse Monte Carlo and molecular statics for improved atomic structure modeling: a case study of zinc oxide grown by atomic layer deposition.
    Gettler RC; Koenig HD; Young MJ
    Phys Chem Chem Phys; 2021 Dec; 23(46):26417-26427. PubMed ID: 34792514
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A gradient-directed Monte Carlo approach to molecular design.
    Hu X; Beratan DN; Yang W
    J Chem Phys; 2008 Aug; 129(6):064102. PubMed ID: 18715046
    [TBL] [Abstract][Full Text] [Related]  

  • 19. On the range of water structure models compatible with X-ray and neutron diffraction data.
    Wikfeldt KT; Leetmaa M; Ljungberg MP; Nilsson A; Pettersson LG
    J Phys Chem B; 2009 May; 113(18):6246-55. PubMed ID: 19358575
    [TBL] [Abstract][Full Text] [Related]  

  • 20. RMC_POT: a computer code for reverse Monte Carlo modeling the structure of disordered systems containing molecules of arbitrary complexity.
    Gereben O; Pusztai L
    J Comput Chem; 2012 Nov; 33(29):2285-91. PubMed ID: 22782785
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.