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 *

184 related articles for article (PubMed ID: 35268757)

  • 1. A Benchmark Protocol for DFT Approaches and Data-Driven Models for Halide-Water Clusters.
    Rodríguez-Segundo R; Arismendi-Arrieta DJ; Prosmiti R
    Molecules; 2022 Mar; 27(5):. PubMed ID: 35268757
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantum molecular simulations of micro-hydrated halogen anions.
    Rodríguez-Segundo R; Gijón A; Prosmiti R
    Phys Chem Chem Phys; 2022 Jun; 24(24):14964-14974. PubMed ID: 35686995
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions.
    Arismendi-Arrieta DJ; Riera M; Bajaj P; Prosmiti R; Paesani F
    J Phys Chem B; 2016 Mar; 120(8):1822-32. PubMed ID: 26560189
    [TBL] [Abstract][Full Text] [Related]  

  • 5. He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions.
    Yanes-Rodríguez R; Arismendi-Arrieta DJ; Prosmiti R
    J Chem Inf Model; 2020 Jun; 60(6):3043-3056. PubMed ID: 32469514
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.
    Trumm M; Martínez YO; Réal F; Masella M; Vallet V; Schimmelpfennig B
    J Chem Phys; 2012 Jan; 136(4):044509. PubMed ID: 22299893
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes.
    Duignan TT; Kathmann SM; Schenter GK; Mundy CJ
    Acc Chem Res; 2021 Jul; 54(13):2833-2843. PubMed ID: 34137593
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions.
    Riera M; Götz AW; Paesani F
    Phys Chem Chem Phys; 2016 Nov; 18(44):30334-30343. PubMed ID: 27711564
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions.
    Paesani F
    Acc Chem Res; 2016 Sep; 49(9):1844-51. PubMed ID: 27548325
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular tailoring approach: a route for ab initio treatment of large clusters.
    Sahu N; Gadre SR
    Acc Chem Res; 2014 Sep; 47(9):2739-47. PubMed ID: 24798296
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electron binding energies of aqueous alkali and halide ions: EUV photoelectron spectroscopy of liquid solutions and combined ab initio and molecular dynamics calculations.
    Winter B; Weber R; Hertel IV; Faubel M; Jungwirth P; Brown EC; Bradforth SE
    J Am Chem Soc; 2005 May; 127(19):7203-14. PubMed ID: 15884962
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics.
    Marsalek O; Uhlig F; VandeVondele J; Jungwirth P
    Acc Chem Res; 2012 Jan; 45(1):23-32. PubMed ID: 21899274
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Study of the stabilization energies of halide-water clusters: an application of first-principles interaction potentials based on a polarizable and flexible model.
    Ayala R; Martínez JM; Pappalardo RR; Sánchez Marcos E
    J Chem Phys; 2004 Oct; 121(15):7269-75. PubMed ID: 15473795
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Probing the Ion-Specific Effects at the Water/Air Interface and Water-Mediated Ion Pairing in Sodium Halide Solution with Ab Initio Molecular Dynamics.
    Liu J; Zhang JZH; He X
    J Phys Chem B; 2018 Nov; 122(44):10202-10209. PubMed ID: 30351119
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Assessing Intermolecular Interactions in Guest-Free Clathrate Hydrate Systems.
    León-Merino I; Rodríguez-Segundo R; Arismendi-Arrieta DJ; Prosmiti R
    J Phys Chem A; 2018 Feb; 122(5):1479-1487. PubMed ID: 29328645
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.
    Yu H; Whitfield TW; Harder E; Lamoureux G; Vorobyov I; Anisimov VM; Mackerell AD; Roux B
    J Chem Theory Comput; 2010; 6(3):774-786. PubMed ID: 20300554
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations.
    Riccardi D; Guo HB; Parks JM; Gu B; Liang L; Smith JC
    J Chem Theory Comput; 2013 Jan; 9(1):555-69. PubMed ID: 26589054
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
    Ruckenstein E; Shulgin IL; Tilson JL
    J Phys Chem A; 2005 Feb; 109(5):807-15. PubMed ID: 16838951
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Density functional study of ion hydration for the alkali metal ions (Li+, Na+, K+) and the halide ions (F-, Br-, Cl-).
    Krekeler C; Hess B; Delle Site L
    J Chem Phys; 2006 Aug; 125(5):054305. PubMed ID: 16942211
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.