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 *

215 related articles for article (PubMed ID: 24901255)

  • 1. Development of AMOEBA force field for 1,3-dimethylimidazolium based ionic liquids.
    Starovoytov ON; Torabifard H; Cisneros GA
    J Phys Chem B; 2014 Jun; 118(25):7156-66. PubMed ID: 24901255
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Application of Gaussian Electrostatic Model (GEM) Distributed Multipoles in the AMOEBA Force Field.
    Cisneros GA
    J Chem Theory Comput; 2012 Dec; 8(12):5072-80. PubMed ID: 26593198
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Development of Imidazolium-Based Parameters for AMOEBA-IL.
    Vázquez-Cervantes JE; Cisneros GA
    J Phys Chem B; 2023 Jun; 127(24):5481-5493. PubMed ID: 37289438
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Improved classical united-atom force field for imidazolium-based ionic liquids: tetrafluoroborate, hexafluorophosphate, methylsulfate, trifluoromethylsulfonate, acetate, trifluoroacetate, and bis(trifluoromethylsulfonyl)amide.
    Zhong X; Liu Z; Cao D
    J Phys Chem B; 2011 Aug; 115(33):10027-40. PubMed ID: 21751818
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Current Status of AMOEBA-IL: A Multipolar/Polarizable Force Field for Ionic Liquids.
    Vázquez-Montelongo EA; Vázquez-Cervantes JE; Cisneros GA
    Int J Mol Sci; 2020 Jan; 21(3):. PubMed ID: 31973103
    [TBL] [Abstract][Full Text] [Related]  

  • 6. First-Principles, Physically Motivated Force Field for the Ionic Liquid [BMIM][BF4].
    Choi E; McDaniel JG; Schmidt JR; Yethiraj A
    J Phys Chem Lett; 2014 Aug; 5(15):2670-4. PubMed ID: 26277961
    [TBL] [Abstract][Full Text] [Related]  

  • 7. S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.
    Chaudret R; Gresh N; Narth C; Lagardère L; Darden TA; Cisneros GA; Piquemal JP
    J Phys Chem A; 2014 Sep; 118(35):7598-612. PubMed ID: 24878003
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular dynamics simulation studies of 1,3-dimethyl imidazolium nitrate ionic liquid with water.
    Solovyova IV; Yang S; Starovoytov ON
    J Chem Phys; 2023 Feb; 158(8):084505. PubMed ID: 36859108
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: a refined force field.
    Mondal A; Balasubramanian S
    J Phys Chem B; 2014 Mar; 118(12):3409-22. PubMed ID: 24605817
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. 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]  

  • 13. Interactions of perfluoroalkyltrifluoroborate anions with li ion and imidazolium cation: effects of perfluoroalkyl chain on motion of ions in ionic liquids.
    Tsuzuki S; Umecky T; Matsumoto H; Shinoda W; Mikami M
    J Phys Chem B; 2010 Sep; 114(35):11390-6. PubMed ID: 20707368
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Comparison of force fields on the basis of various model approaches--how to design the best model for the [CnMIM][NTf2] family of ionic liquids.
    Köddermann T; Reith D; Ludwig R
    Chemphyschem; 2013 Oct; 14(14):3368-74. PubMed ID: 23943352
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Thermodynamic, dynamic, and structural properties of ionic liquids comprised of 1-butyl-3-methylimidazolium cation and nitrate, azide, or dicyanamide anions.
    Bedrov D; Borodin O
    J Phys Chem B; 2010 Oct; 114(40):12802-10. PubMed ID: 20849137
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Hydroxyl-functionalized 1-(2-hydroxyethyl)-3-methyl imidazolium ionic liquids: thermodynamic and structural properties using molecular dynamics simulations and ab initio calculations.
    Fakhraee M; Zandkarimi B; Salari H; Gholami MR
    J Phys Chem B; 2014 Dec; 118(49):14410-28. PubMed ID: 25394200
    [TBL] [Abstract][Full Text] [Related]  

  • 17. TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field.
    Dziedzic J; Mao Y; Shao Y; Ponder J; Head-Gordon T; Head-Gordon M; Skylaris CK
    J Chem Phys; 2016 Sep; 145(12):124106. PubMed ID: 27782640
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Simulations of imidazolium ionic liquids: when does the cation charge distribution matter?
    Lynden-Bell RM; Youngs TG
    J Phys Condens Matter; 2009 Oct; 21(42):424120. PubMed ID: 21715855
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular dynamic simulations of ionic liquids: a reliable description of structure, thermodynamics and dynamics.
    Köddermann T; Paschek D; Ludwig R
    Chemphyschem; 2007 Dec; 8(17):2464-70. PubMed ID: 17943710
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Transferable next-generation force fields from simple liquids to complex materials.
    Schmidt JR; Yu K; McDaniel JG
    Acc Chem Res; 2015 Mar; 48(3):548-56. PubMed ID: 25688596
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.