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 *

137 related articles for article (PubMed ID: 25296787)

  • 1. Real space electrostatics for multipoles. II. Comparisons with the Ewald sum.
    Lamichhane M; Newman KE; Gezelter JD
    J Chem Phys; 2014 Oct; 141(13):134110. PubMed ID: 25296787
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Real space electrostatics for multipoles. I. Development of methods.
    Lamichhane M; Gezelter JD; Newman KE
    J Chem Phys; 2014 Oct; 141(13):134109. PubMed ID: 25296786
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Real space electrostatics for multipoles. III. Dielectric properties.
    Lamichhane M; Parsons T; Newman KE; Gezelter JD
    J Chem Phys; 2016 Aug; 145(7):074108. PubMed ID: 27544088
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations.
    Sagui C; Pedersen LG; Darden TA
    J Chem Phys; 2004 Jan; 120(1):73-87. PubMed ID: 15267263
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics Simulations.
    Devereux M; Raghunathan S; Fedorov DG; Meuwly M
    J Chem Theory Comput; 2014 Oct; 10(10):4229-41. PubMed ID: 26588121
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics.
    Fennell CJ; Gezelter JD
    J Chem Phys; 2006 Jun; 124(23):234104. PubMed ID: 16821904
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An Efficient Linear-Scaling Ewald Method for Long-Range Electrostatic Interactions in Combined QM/MM Calculations.
    Nam K; Gao J; York DM
    J Chem Theory Comput; 2005 Jan; 1(1):2-13. PubMed ID: 26641110
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Damped reaction field method and the accelerated convergence of the real space Ewald summation.
    Elvira VH; MacDowell LG
    J Chem Phys; 2014 Oct; 141(16):164108. PubMed ID: 25362273
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Arbitrary order permanent Cartesian multipolar electrostatic interactions.
    Boateng HA; Todorov IT
    J Chem Phys; 2015 Jan; 142(3):034117. PubMed ID: 25612699
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Atomic forces for geometry-dependent point multipole and gaussian multipole models.
    Elking DM; Perera L; Duke R; Darden T; Pedersen LG
    J Comput Chem; 2010 Nov; 31(15):2702-13. PubMed ID: 20839297
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A Modified Shifted Force Approach to the Wolf Summation.
    Waibel C; Feinler MS; Gross J
    J Chem Theory Comput; 2019 Jan; 15(1):572-583. PubMed ID: 30418767
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Dynamical properties of the soft sticky dipole-quadrupole-octupole water model: a molecular dynamics study.
    Chowdhuri S; Tan ML; Ichiye T
    J Chem Phys; 2006 Oct; 125(14):144513. PubMed ID: 17042615
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A New Relatively Simple Approach to Multipole Interactions in Either Spherical Harmonics or Cartesians, Suitable for Implementation into Ewald Sums.
    Burnham CJ; English NJ
    Int J Mol Sci; 2019 Dec; 21(1):. PubMed ID: 31906127
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Pairwise Alternatives to Ewald Summation for Calculating Long-Range Electrostatics in Ionic Liquids.
    McCann BW; Acevedo O
    J Chem Theory Comput; 2013 Feb; 9(2):944-50. PubMed ID: 26588737
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Simplistic Coulomb forces in molecular dynamics: comparing the Wolf and shifted-force approximations.
    Hansen JS; Schrøder TB; Dyre JC
    J Phys Chem B; 2012 May; 116(19):5738-43. PubMed ID: 22497264
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations.
    Wei H; Qi R; Wang J; Cieplak P; Duan Y; Luo R
    J Chem Phys; 2020 Sep; 153(11):114116. PubMed ID: 32962395
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Unification of Ewald and shifted force methods to calculate Coulomb interactions in molecular simulations.
    Hammonds KD; Heyes DM
    J Chem Phys; 2024 Jun; 160(24):. PubMed ID: 38912623
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Scoring multipole electrostatics in condensed-phase atomistic simulations.
    Bereau T; Kramer C; Monnard FW; Nogueira ES; Ward TR; Meuwly M
    J Phys Chem B; 2013 May; 117(18):5460-71. PubMed ID: 23560873
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Multiple "time step" Monte Carlo simulations: application to charged systems with Ewald summation.
    Bernacki K; Hetenyi B; Berne BJ
    J Chem Phys; 2004 Jul; 121(1):44-50. PubMed ID: 15260521
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Multipolar Ewald methods, 1: theory, accuracy, and performance.
    Giese TJ; Panteva MT; Chen H; York DM
    J Chem Theory Comput; 2015 Feb; 11(2):436-50. PubMed ID: 25691829
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.