BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

316 related articles for article (PubMed ID: 17004824)

  • 1. Molecular force field for ionic liquids III: imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions.
    Canongia Lopes JN; Padua AA
    J Phys Chem B; 2006 Oct; 110(39):19586-92. PubMed ID: 17004824
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular force field for ionic liquids IV: trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions.
    Lopes JN; Padua AA; Shimizu K
    J Phys Chem B; 2008 Apr; 112(16):5039-46. PubMed ID: 18380506
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular force field for ionic liquids v: hydroxyethylimidazolium, dimethoxy-2- methylimidazolium, and fluoroalkylimidazolium cations and bis(fluorosulfonyl)amide, perfluoroalkanesulfonylamide, and fluoroalkylfluorophosphate anions.
    Shimizu K; Almantariotis D; Costa Gomes MF; Pádua AA; Canongia Lopes JN
    J Phys Chem B; 2010 Mar; 114(10):3592-600. PubMed ID: 20175555
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Polarizable force field development and molecular dynamics simulations of ionic liquids.
    Borodin O
    J Phys Chem B; 2009 Aug; 113(33):11463-78. PubMed ID: 19637900
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Using spectroscopic data on imidazolium cation conformations to test a molecular force field for ionic liquids.
    Canongia Lopes JN; Padua AA
    J Phys Chem B; 2006 Apr; 110(14):7485-9. PubMed ID: 16599528
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Nanostructural organization in ionic liquids.
    Canongia Lopes JN; Pádua AA
    J Phys Chem B; 2006 Feb; 110(7):3330-5. PubMed ID: 16494347
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.
    Tsuzuki S; Shinoda W; Saito H; Mikami M; Tokuda H; Watanabe M
    J Phys Chem B; 2009 Aug; 113(31):10641-9. PubMed ID: 19591511
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Rational design of ion force fields based on thermodynamic solvation properties.
    Horinek D; Mamatkulov SI; Netz RR
    J Chem Phys; 2009 Mar; 130(12):124507. PubMed ID: 19334851
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A force field for guanidinium-based ionic liquids that utilizes the electron charge distribution of the actual liquid: a molecular simulation study.
    Klähn M; Seduraman A; Wu P
    J Phys Chem B; 2008 Sep; 112(35):10989-1004. PubMed ID: 18683968
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A force field for molecular simulation of tetrabutylphosphonium amino acid ionic liquids.
    Zhou G; Liu X; Zhang S; Yu G; He H
    J Phys Chem B; 2007 Jun; 111(25):7078-84. PubMed ID: 17552552
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular simulation of guanidinium-based ionic liquids.
    Liu X; Zhou G; Zhang S; Wu G; Yu G
    J Phys Chem B; 2007 May; 111(20):5658-68. PubMed ID: 17469867
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquids.
    Tsuzuki S; Matsumoto H; Shinoda W; Mikami M
    Phys Chem Chem Phys; 2011 Apr; 13(13):5987-93. PubMed ID: 21336402
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular modeling of imidazolium-based [Tf2N-] ionic liquids: microscopic structure, thermodynamic and dynamic properties, and segmental dynamics.
    Logotheti GE; Ramos J; Economou IG
    J Phys Chem B; 2009 May; 113(20):7211-24. PubMed ID: 19405496
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular simulation study of some thermophysical and transport properties of triazolium-based ionic liquids.
    Cadena C; Maginn EJ
    J Phys Chem B; 2006 Sep; 110(36):18026-39. PubMed ID: 16956294
    [TBL] [Abstract][Full Text] [Related]  

  • 15. New force field for molecular simulation of guanidinium-based ionic liquids.
    Liu X; Zhang S; Zhou G; Wu G; Yuan X; Yao X
    J Phys Chem B; 2006 Jun; 110(24):12062-71. PubMed ID: 16800517
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Impact of ionic liquids in environment and humans: an overview.
    Frade RF; Afonso CA
    Hum Exp Toxicol; 2010 Dec; 29(12):1038-54. PubMed ID: 20511289
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An improved OPLS-AA force field for carbohydrates.
    Kony D; Damm W; Stoll S; Van Gunsteren WF
    J Comput Chem; 2002 Nov; 23(15):1416-29. PubMed ID: 12370944
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. A novel united-atom force field for imidazolium-based ionic liquids.
    Liu Z; Wu X; Wang W
    Phys Chem Chem Phys; 2006 Mar; 8(9):1096-104. PubMed ID: 16633591
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP; van Gunsteren WF
    J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.