BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

140 related articles for article (PubMed ID: 33163812)

  • 1. Refined Force Field for Liquid Sulfolane with Particular Emphasis to Its Transport Characteristics.
    Mukherji S; Avula NVS; Balasubramanian S
    ACS Omega; 2020 Nov; 5(43):28285-28295. PubMed ID: 33163812
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Development of a Polarizable Force Field for Molecular Dynamics Simulations of Lithium-Ion Battery Electrolytes: Sulfone-Based Solvents and Lithium Salts.
    Starovoytov ON
    J Phys Chem B; 2021 Oct; 125(40):11242-11255. PubMed ID: 34586817
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical Investigation of the Structure and Physicochemical Properties of Alkaline and Alkaline Earth Metal Perchlorate Solutions in Sulfolane.
    Yusupova AR; Kuzmina EV; Kolosnitsyn VS
    J Phys Chem B; 2022 Oct; 126(39):7676-7685. PubMed ID: 36149734
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A Drude polarizable model for liquid hydrogen sulfide.
    Riahi S; Rowley CN
    J Phys Chem B; 2013 May; 117(17):5222-9. PubMed ID: 23566029
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Efficient Parametrization of Force Field for the Quantitative Prediction of the Physical Properties of Ionic Liquid Electrolytes.
    Avula NVS; Karmakar A; Kumar R; Balasubramanian S
    J Chem Theory Comput; 2021 Jul; 17(7):4274-4290. PubMed ID: 34097391
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Non-polarizable force field of water based on the dielectric constant: TIP4P/ε.
    Fuentes-Azcatl R; Alejandre J
    J Phys Chem B; 2014 Feb; 118(5):1263-72. PubMed ID: 24422512
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids.
    Carmona-Espíndola J; Núñez-Rojas E; García-Melgarejo V; Gázquez JL; Alejandre J
    J Chem Phys; 2020 Mar; 152(12):124116. PubMed ID: 32241143
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Improved united-atom force field for 1-alkyl-3-methylimidazolium chloride.
    Liu Z; Chen T; Bell A; Smit B
    J Phys Chem B; 2010 Apr; 114(13):4572-82. PubMed ID: 20235515
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular Dynamics Simulations of High-Concentration Li[TFSA] Sulfone Solution: Effect of Easy Conformation Change of Sulfolane on Fast Diffusion of Li Ion.
    Tsuzuki S; Ikeda S; Shinoda W; Shigenobu K; Ueno K; Dokko K; Watanabe M
    J Phys Chem B; 2023 Jul; 127(28):6333-6341. PubMed ID: 37428625
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Improved Force Field Model for the Deep Eutectic Solvent Ethaline: Reliable Physicochemical Properties.
    Ferreira ESC; Voroshylova IV; Pereira CM; D S Cordeiro MN
    J Phys Chem B; 2016 Sep; 120(38):10124-10137. PubMed ID: 27623239
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model.
    Anisimov VM; Vorobyov IV; Roux B; Mackerell AD
    J Chem Theory Comput; 2007; 3(6):1927-1946. PubMed ID: 18802495
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Parameterization and optimization of the menthol force field for molecular dynamics simulations.
    Jasik M; Szefczyk B
    J Mol Model; 2016 Oct; 22(10):234. PubMed ID: 27604277
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane.
    Das A; Ali SM
    J Chem Phys; 2018 Feb; 148(7):074502. PubMed ID: 29471660
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A new force field of formamide and the effect of the dielectric constant on miscibility.
    de la Luz AP; Méndez-Maldonado GA; Núñez-Rojas E; Bresme F; Alejandre J
    J Chem Theory Comput; 2015 Jun; 11(6):2792-800. PubMed ID: 26575572
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S; Brooks CL
    J Chem Phys; 2005 Oct; 123(16):164502. PubMed ID: 16268707
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA; Brooks CL
    J Chem Phys; 2006 May; 124(20):204706. PubMed ID: 16774363
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Modified free volume theory of self-diffusion and molecular theory of shear viscosity of liquid carbon dioxide.
    Nasrabad AE; Laghaei R; Eu BC
    J Phys Chem B; 2005 Apr; 109(16):8171-9. PubMed ID: 16851955
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model.
    Patel S; Brooks CL
    J Chem Phys; 2005 Jan; 122(2):024508. PubMed ID: 15638599
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.