BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

216 related articles for article (PubMed ID: 26588737)

  • 1. 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]  

  • 2. 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]  

  • 3. Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids.
    Sambasivarao SV; Acevedo O
    J Chem Theory Comput; 2009 Apr; 5(4):1038-50. PubMed ID: 26609613
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations.
    Doherty B; Zhong X; Gathiaka S; Li B; Acevedo O
    J Chem Theory Comput; 2017 Dec; 13(12):6131-6145. PubMed ID: 29112809
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations.
    Ojeda-May P; Pu J
    J Chem Phys; 2015 Nov; 143(17):174111. PubMed ID: 26547162
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Electrostatic interactions in soft particle systems: mesoscale simulations of ionic liquids.
    Wang YL; Zhu YL; Lu ZY; Laaksonen A
    Soft Matter; 2018 May; 14(21):4252-4267. PubMed ID: 29780992
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.
    Fischer NM; van Maaren PJ; Ditz JC; Yildirim A; van der Spoel D
    J Chem Theory Comput; 2015 Jul; 11(7):2938-44. PubMed ID: 26575731
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: analysis of the accuracy and application to liquid systems.
    Fukuda I; Kamiya N; Nakamura H
    J Chem Phys; 2014 May; 140(19):194307. PubMed ID: 24852538
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Single particle dynamics in ionic liquids of 1-alkyl-3-methylimidazolium cations.
    Urahata SM; Ribeiro MC
    J Chem Phys; 2005 Jan; 122(2):024511. PubMed ID: 15638602
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Aqueous interfaces with hydrophobic room-temperature ionic liquids: a molecular dynamics study.
    Chaumont A; Schurhammer R; Wipff G
    J Phys Chem B; 2005 Oct; 109(40):18964-73. PubMed ID: 16853442
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Surface Tension of Organic Liquids Using the OPLS/AA Force Field.
    Zubillaga RA; Labastida A; Cruz B; Martínez JC; Sánchez E; Alejandre J
    J Chem Theory Comput; 2013 Mar; 9(3):1611-5. PubMed ID: 26587622
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Simulating chemical reactions in ionic liquids using QM/MM methodology.
    Acevedo O
    J Phys Chem A; 2014 Dec; 118(50):11653-66. PubMed ID: 25329366
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Thermodynamical and structural properties of binary mixtures of imidazolium chloride ionic liquids and alcohols from molecular simulation.
    Raabe G; Köhler J
    J Chem Phys; 2008 Oct; 129(14):144503. PubMed ID: 19045154
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient.
    Kowsari MH; Alavi S; Ashrafizaadeh M; Najafi B
    J Chem Phys; 2008 Dec; 129(22):224508. PubMed ID: 19071929
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Amorphous silica modeled with truncated and screened Coulomb interactions: a molecular dynamics simulation study.
    Carré A; Berthier L; Horbach J; Ispas S; Kob W
    J Chem Phys; 2007 Sep; 127(11):114512. PubMed ID: 17887862
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Influence of the organized structure of 1-alkyl-3-methylimidazolium-based ionic liquids on the rotational diffusion of an ionic solute.
    Gangamallaiah V; Dutt GB
    J Phys Chem B; 2013 Aug; 117(34):9973-9. PubMed ID: 23902404
    [TBL] [Abstract][Full Text] [Related]  

  • 19. On the density scaling of pVT data and transport properties for molecular and ionic liquids.
    López ER; Pensado AS; Fernández J; Harris KR
    J Chem Phys; 2012 Jun; 136(21):214502. PubMed ID: 22697553
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 11.