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 *

281 related articles for article (PubMed ID: 23420666)

  • 1. Parameterization of a reactive force field using a Monte Carlo algorithm.
    Iype E; Hütter M; Jansen AP; Nedea SV; Rindt CC
    J Comput Chem; 2013 May; 34(13):1143-54. PubMed ID: 23420666
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Thermodynamic properties for applications in chemical industry via classical force fields.
    Guevara-Carrion G; Hasse H; Vrabec J
    Top Curr Chem; 2012; 307():201-49. PubMed ID: 21678137
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction.
    Hubin PO; Jacquemin D; Leherte L; Vercauteren DP
    J Comput Chem; 2016 Nov; 37(29):2564-72. PubMed ID: 27592688
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reactive force field development for magnesium chloride hydrates and its application for seasonal heat storage.
    Pathak AD; Nedea S; van Duin AC; Zondag H; Rindt C; Smeulders D
    Phys Chem Chem Phys; 2016 Jun; 18(23):15838-47. PubMed ID: 27229633
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Development of a ReaxFF reactive force field for aqueous chloride and copper chloride.
    Rahaman O; van Duin AC; Bryantsev VS; Mueller JE; Solares SD; Goddard WA; Doren DJ
    J Phys Chem A; 2010 Mar; 114(10):3556-68. PubMed ID: 20180586
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics.
    Zheng M; Li X; Guo L
    J Mol Graph Model; 2013 Apr; 41():1-11. PubMed ID: 23454611
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields.
    Furman D; Carmeli B; Zeiri Y; Kosloff R
    J Chem Theory Comput; 2018 Jun; 14(6):3100-3112. PubMed ID: 29727570
    [TBL] [Abstract][Full Text] [Related]  

  • 8. ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation.
    Chenoweth K; van Duin AC; Goddard WA
    J Phys Chem A; 2008 Feb; 112(5):1040-53. PubMed ID: 18197648
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions.
    Trnka T; Tvaroška I; Koča J
    J Chem Theory Comput; 2018 Jan; 14(1):291-302. PubMed ID: 29156140
    [TBL] [Abstract][Full Text] [Related]  

  • 10. General Multiobjective Force Field Optimization Framework, with Application to Reactive Force Fields for Silicon Carbide.
    Jaramillo-Botero A; Naserifar S; Goddard WA
    J Chem Theory Comput; 2014 Apr; 10(4):1426-39. PubMed ID: 26580361
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Optimization and application of lithium parameters for the reactive force field, ReaxFF.
    Han SS; van Duin AC; Goddard WA; Lee HM
    J Phys Chem A; 2005 May; 109(20):4575-82. PubMed ID: 16833794
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Development of a ReaxFF reactive force field for titanium dioxide/water systems.
    Kim SY; Kumar N; Persson P; Sofo J; van Duin AC; Kubicki JD
    Langmuir; 2013 Jun; 29(25):7838-46. PubMed ID: 23687907
    [TBL] [Abstract][Full Text] [Related]  

  • 13. JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force Fields.
    Kaymak MC; Rahnamoun A; O'Hearn KA; van Duin ACT; Merz KM; Aktulga HM
    J Chem Theory Comput; 2022 Sep; 18(9):5181-5194. PubMed ID: 35978524
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Parametric Study of ReaxFF Simulation Parameters for Molecular Dynamics Modeling of Reactive Carbon Gases.
    Jensen BD; Bandyopadhyay A; Wise KE; Odegard GM
    J Chem Theory Comput; 2012 Sep; 8(9):3003-8. PubMed ID: 26605713
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Simulation of titanium metal/titanium dioxide etching with chlorine and hydrogen chloride gases using the ReaxFF reactive force field.
    Kim SY; van Duin AC
    J Phys Chem A; 2013 Jul; 117(27):5655-63. PubMed ID: 23750609
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular dynamics simulations of laser-induced incandescence of soot using an extended ReaxFF reactive force field.
    Kamat AM; van Duin AC; Yakovlev A
    J Phys Chem A; 2010 Dec; 114(48):12561-72. PubMed ID: 21067165
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Global optimization of parameters in the reactive force field ReaxFF for SiOH.
    Larsson HR; van Duin AC; Hartke B
    J Comput Chem; 2013 Sep; 34(25):2178-89. PubMed ID: 23852672
    [TBL] [Abstract][Full Text] [Related]  

  • 18. ReaxFF Parameter Optimization with Monte-Carlo and Evolutionary Algorithms: Guidelines and Insights.
    Shchygol G; Yakovlev A; Trnka T; van Duin ACT; Verstraelen T
    J Chem Theory Comput; 2019 Dec; 15(12):6799-6812. PubMed ID: 31657217
    [TBL] [Abstract][Full Text] [Related]  

  • 19. ReaxFF reactive force field for molecular dynamics simulations of liquid Cu and Zr metals.
    Huang HS; Ai LQ; van Duin ACT; Chen M; Lü YJ
    J Chem Phys; 2019 Sep; 151(9):094503. PubMed ID: 31492056
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations.
    Neyts EC; Shibuta Y; van Duin AC; Bogaerts A
    ACS Nano; 2010 Nov; 4(11):6665-72. PubMed ID: 20939511
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.