BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

244 related articles for article (PubMed ID: 20426449)

  • 1. Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.
    DeVane R; Klein ML; Chiu CC; Nielsen SO; Shinoda W; Moore PB
    J Phys Chem B; 2010 May; 114(19):6386-93. PubMed ID: 20426449
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.
    Chiu CC; DeVane R; Klein ML; Shinoda W; Moore PB; Nielsen SO
    J Phys Chem B; 2010 May; 114(19):6394-400. PubMed ID: 20426450
    [TBL] [Abstract][Full Text] [Related]  

  • 3. SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide.
    Avendaño C; Lafitte T; Galindo A; Adjiman CS; Jackson G; Müller EA
    J Phys Chem B; 2011 Sep; 115(38):11154-69. PubMed ID: 21815624
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.
    Villa A; Peter C; van der Vegt NF
    Phys Chem Chem Phys; 2009 Mar; 11(12):2077-86. PubMed ID: 19280018
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids.
    DeVane R; Jusufi A; Shinoda W; Chiu CC; Nielsen SO; Moore PB; Klein ML
    J Phys Chem B; 2010 Dec; 114(49):16364-72. PubMed ID: 21090655
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model.
    Villa A; van der Vegt NF; Peter C
    Phys Chem Chem Phys; 2009 Mar; 11(12):2068-76. PubMed ID: 19280017
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Coarse-grained ions without charges: reproducing the solvation structure of NaCl in water using short-ranged potentials.
    DeMille RC; Molinero V
    J Chem Phys; 2009 Jul; 131(3):034107. PubMed ID: 19624181
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Assessing atomistic and coarse-grained force fields for protein-lipid interactions: the formidable challenge of an ionizable side chain in a membrane.
    Vorobyov I; Li L; Allen TW
    J Phys Chem B; 2008 Aug; 112(32):9588-602. PubMed ID: 18636764
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Optimization of coarse-grained interaction potential: inside inherent limitations of coarse-graining methods.
    Kowalczyk P; Gauden PA; Ciach A
    J Phys Chem B; 2011 Jun; 115(21):6985-94. PubMed ID: 21557601
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites.
    Rzepiela AJ; Louhivuori M; Peter C; Marrink SJ
    Phys Chem Chem Phys; 2011 Jun; 13(22):10437-48. PubMed ID: 21494747
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Transferability of coarse-grained force fields: the polymer case.
    Carbone P; Varzaneh HA; Chen X; Müller-Plathe F
    J Chem Phys; 2008 Feb; 128(6):064904. PubMed ID: 18282071
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
    Murarka RK; Liwo A; Scheraga HA
    J Chem Phys; 2007 Oct; 127(15):155103. PubMed ID: 17949219
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Dynamics of water in the hydration shells of C60: molecular dynamics simulation using a coarse-grained model.
    Choudhury N
    J Phys Chem B; 2007 Sep; 111(35):10474-80. PubMed ID: 17696526
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Chain dynamics of poly(ethylene-alt-propylene) melts by means of coarse-grained simulations based on atomistic molecular dynamics.
    Pérez-Aparicio R; Colmenero J; Alvarez F; Padding JT; Briels WJ
    J Chem Phys; 2010 Jan; 132(2):024904. PubMed ID: 20095706
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water.
    Villa A; Peter C; van der Vegt NF
    J Chem Theory Comput; 2010 Aug; 6(8):2434-44. PubMed ID: 26613497
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Generalized coarse-grained model based on point multipole and Gay-Berne potentials.
    Golubkov PA; Ren P
    J Chem Phys; 2006 Aug; 125(6):64103. PubMed ID: 16942269
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide.
    Mognetti BM; Yelash L; Virnau P; Paul W; Binder K; Müller M; MacDowell LG
    J Chem Phys; 2008 Mar; 128(10):104501. PubMed ID: 18345900
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A novel algorithm for creating coarse-grained, density dependent implicit solvent models.
    Allen EC; Rutledge GC
    J Chem Phys; 2008 Apr; 128(15):154115. PubMed ID: 18433198
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations.
    Riniker S; van Gunsteren WF
    J Chem Phys; 2011 Feb; 134(8):084110. PubMed ID: 21361530
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Coarse graining using pretabulated potentials: liquid benzene.
    Zacharopoulos N; Vergadou N; Theodorou DN
    J Chem Phys; 2005 Jun; 122(24):244111. PubMed ID: 16035750
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.