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 *

111 related articles for article (PubMed ID: 39056186)

  • 1. Machine learning-driven investigation of the structure and dynamics of the BMIM-BF
    Zills F; Schäfer MR; Tovey S; Kästner J; Holm C
    Faraday Discuss; 2024 Jul; ():. PubMed ID: 39056186
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Molecular dynamics simulation study of sodium ion structure & dynamics in water in ionic liquids electrolytes using 1-butyl-3-methyl imidazolium tetrafluoroborate and 1-butyl-3-methyl imidazolium hexafluorophosphate.
    Gupta S; Gupta U; Sappidi P
    J Mol Graph Model; 2024 Jul; 130():108775. PubMed ID: 38642499
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Microheterogeneity-Induced Vibrational Spectral Dynamics of Aqueous 1-Alkyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids of Different Cationic Chain Lengths.
    Biswas A; Mallik BS
    J Phys Chem B; 2022 Jul; 126(29):5523-5533. PubMed ID: 35833870
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular dynamics simulation of room-temperature ionic liquid mixture of [bmim][BF4] and acetonitrile by a refined force field.
    Wu X; Liu Z; Huang S; Wang W
    Phys Chem Chem Phys; 2005 Jul; 7(14):2771-9. PubMed ID: 16189592
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A density functional theory study on the interactions between dibenzothiophene and tetrafluoroborate-based ionic liquids.
    Lin J; Lü R; Wu C; Xiao Y; Liang F; Famakinwa T
    J Mol Model; 2017 Apr; 23(4):145. PubMed ID: 28364307
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Conformational Properties of a Polymer in an Ionic Liquid: Computer Simulations and Integral Equation Theory of a Coarse-Grained Model.
    Choi E; Yethiraj A
    J Phys Chem B; 2015 Jul; 119(29):9091-7. PubMed ID: 25310685
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Supramolecular Ionic-Liquid Gels with High Ionic Conductivity.
    Maršavelski A; Smrečki V; Vianello R; Žinić M; Moguš-Milanković A; Šantić A
    Chemistry; 2015 Aug; 21(34):12121-8. PubMed ID: 26178864
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly.
    Zills F; Schäfer MR; Segreto N; Kästner J; Holm C; Tovey S
    J Phys Chem B; 2024 Apr; 128(15):3662-3676. PubMed ID: 38568231
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structure, Molecular Interactions, and Dynamics of Aqueous [BMIM][BF
    Chang TM; Billeck SE
    J Phys Chem B; 2021 Feb; 125(4):1227-1240. PubMed ID: 33497566
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
    Foffi G; Pastore A; Piazza F; Temussi PA
    Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces.
    Hu Z; Vatamanu J; Borodin O; Bedrov D
    Phys Chem Chem Phys; 2013 Sep; 15(34):14234-47. PubMed ID: 23873305
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Parametrization of 1-butyl-3-methylimidazolium hexafluorophosphate/nitrate ionic liquid for the GROMOS force field.
    Micaelo NM; Baptista AM; Soares CM
    J Phys Chem B; 2006 Jul; 110(29):14444-51. PubMed ID: 16854154
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Integrating Molecular Simulations with Machine Learning Guides in the Design and Synthesis of [BMIM][BF
    Daglar H; Gulbalkan HC; Habib N; Durak O; Uzun A; Keskin S
    ACS Appl Mater Interfaces; 2023 Apr; 15(13):17421-17431. PubMed ID: 36972354
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials.
    Wang YL; Lyubartsev A; Lu ZY; Laaksonen A
    Phys Chem Chem Phys; 2013 May; 15(20):7701-12. PubMed ID: 23595102
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparison between Ab Initio Molecular Dynamics and OPLS-Based Force Fields for Ionic Liquid Solvent Organization.
    Yue K; Doherty B; Acevedo O
    J Phys Chem B; 2022 Jun; 126(21):3908-3919. PubMed ID: 35594504
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A data-guided approach for the evaluation of zeolites for hydrogen storage with the aid of molecular simulations.
    Manda T; Barasa GO; Louis H; Irfan A; Agumba JO; Lugasi SO; Pembere AMS
    J Mol Model; 2024 Jan; 30(2):43. PubMed ID: 38236500
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Insights into the structure and dynamics of a room-temperature ionic liquid: ab initio molecular dynamics simulation studies of 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]-CO2 mixture.
    Bhargava BL; Balasubramanian S
    J Phys Chem B; 2007 May; 111(17):4477-87. PubMed ID: 17417900
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Atomistic molecular dynamics simulation and COSMO-SAC approach for enhanced 1,3-propanediol extraction with imidazolium-based ionic liquids.
    Akshat R; Bharti A; Padmanabhan P
    J Mol Model; 2024 May; 30(6):164. PubMed ID: 38733431
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.