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 *

213 related articles for article (PubMed ID: 16898765)

  • 1. On the accuracy of force fields for predicting the physical properties of dimethylnitramine.
    Zheng L; Thompson DL
    J Phys Chem B; 2006 Aug; 110(32):16082-8. PubMed ID: 16898765
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular dynamics simulations of the melting of 1,3,3-trinitroazetidine.
    Agrawal PM; Rice BM; Zheng L; Velardez GF; Thompson DL
    J Phys Chem B; 2006 Mar; 110(11):5721-6. PubMed ID: 16539517
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular dynamics simulations of hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using a combined Sorescu-Rice-Thompson AMBER force field.
    Agrawal PM; Rice BM; Zheng L; Thompson DL
    J Phys Chem B; 2006 Dec; 110(51):26185-8. PubMed ID: 17181274
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular dynamics simulations of surface-initiated melting of nitromethane.
    Siavosh-Haghighi A; Thompson DL
    J Chem Phys; 2006 Nov; 125(18):184711. PubMed ID: 17115783
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular dynamics simulations of melting and the glass transition of nitromethane.
    Zheng L; Luo SN; Thompson DL
    J Chem Phys; 2006 Apr; 124(15):154504. PubMed ID: 16674239
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Simulations of the solid, liquid, and melting of 1-n-butyl-4-amino-1,2,4-triazolium bromide.
    Alavi S; Thompson DL
    J Phys Chem B; 2005 Sep; 109(38):18127-34. PubMed ID: 16853328
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular dynamics studies of melting and solid-state transitions of ammonium nitrate.
    Velardez GF; Alavi S; Thompson DL
    J Chem Phys; 2004 May; 120(19):9151-9. PubMed ID: 15267851
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulations.
    Dommert F; Schmidt J; Qiao B; Zhao Y; Krekeler C; Delle Site L; Berger R; Holm C
    J Chem Phys; 2008 Dec; 129(22):224501. PubMed ID: 19071922
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A molecular-dynamics study of structural and physical properties of nitromethane nanoparticles.
    Alavi S; Thompson DL
    J Chem Phys; 2004 Jun; 120(21):10231-9. PubMed ID: 15268047
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Evaluation of force fields for molecular simulation of polyhedral oligomeric silsesquioxanes.
    Ionescu TC; Qi F; McCabe C; Striolo A; Kieffer J; Cummings PT
    J Phys Chem B; 2006 Feb; 110(6):2502-10. PubMed ID: 16471847
    [TBL] [Abstract][Full Text] [Related]  

  • 11. New-generation amber united-atom force field.
    Yang L; Tan CH; Hsieh MJ; Wang J; Duan Y; Cieplak P; Caldwell J; Kollman PA; Luo R
    J Phys Chem B; 2006 Jul; 110(26):13166-76. PubMed ID: 16805629
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular dynamics simulations of melting of perfect crystalline hexahydro-1,3,5-trinitro-1,3,5-s-triazine.
    Zheng L; Thompson DL
    J Chem Phys; 2006 Aug; 125(8):084505. PubMed ID: 16965027
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular dynamics simulations of the thermal conductivity of methane hydrate.
    Jiang H; Myshakin EM; Jordan KD; Warzinski RP
    J Phys Chem B; 2008 Aug; 112(33):10207-16. PubMed ID: 18652505
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular dynamics simulations of peptide carboxylate hydration.
    Liang T; Walsh TR
    Phys Chem Chem Phys; 2006 Oct; 8(38):4410-9. PubMed ID: 17001408
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fields.
    Cacelli I; Gaetani LD; Prampolini G; Tani A
    J Phys Chem B; 2007 Mar; 111(9):2130-7. PubMed ID: 17288473
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular dynamics studies of melting and some liquid-state properties of 1-ethyl-3-methylimidazolium hexafluorophosphate [emim][PF6].
    Alavi S; Thompson DL
    J Chem Phys; 2005 Apr; 122(15):154704. PubMed ID: 15945653
    [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. Polarizable and flexible model for ethanol.
    Wang S; Cann NM
    J Chem Phys; 2007 Jun; 126(21):214502. PubMed ID: 17567203
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Water models based on a single potential energy surface and different molecular degrees of freedom.
    Saint-Martin H; Hernández-Cobos J; Ortega-Blake I
    J Chem Phys; 2005 Jun; 122(22):224509. PubMed ID: 15974693
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Optimized molecular force field for sulfur hexafluoride simulations.
    Olivet A; Vega LF
    J Chem Phys; 2007 Apr; 126(14):144502. PubMed ID: 17444718
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.