BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

269 related articles for article (PubMed ID: 35829622)

  • 1. Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.
    Gomez DT; Pratt LR; Asthagiri DN; Rempe SB
    Acc Chem Res; 2022 Aug; 55(16):2201-2212. PubMed ID: 35829622
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
    J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes.
    Gomez DT; Pratt LR; Rogers DM; Rempe SB
    Molecules; 2021 May; 26(11):. PubMed ID: 34064203
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory.
    Ashbaugh HS; Asthagiri D; Pratt LR; Rempe SB
    Biophys Chem; 2003 Sep; 105(2-3):323-38. PubMed ID: 14499902
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quasichemical and structural analysis of polarizable anion hydration.
    Rogers DM; Beck TL
    J Chem Phys; 2010 Jan; 132(1):014505. PubMed ID: 20078170
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Length scales and interfacial potentials in ion hydration.
    Shi Y; Beck TL
    J Chem Phys; 2013 Jul; 139(4):044504. PubMed ID: 23901990
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quasi-chemical theory of F
    Chaudhari MI; Rempe SB; Pratt LR
    J Chem Phys; 2017 Oct; 147(16):161728. PubMed ID: 29096480
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
    Atta-Fynn R; Bylaska EJ; Schenter GK; de Jong WA
    J Phys Chem A; 2011 May; 115(18):4665-77. PubMed ID: 21500828
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Computing the 7Li NMR chemical shielding of hydrated Li+ using cluster calculations and time-averaged configurations from ab initio molecular dynamics simulations.
    Alam TM; Hart D; Rempe SL
    Phys Chem Chem Phys; 2011 Aug; 13(30):13629-37. PubMed ID: 21701731
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structures, energetics, and spectra of hydrated hydroxide anion clusters.
    Lee HM; Tarkeshwar P; Kim KS
    J Chem Phys; 2004 Sep; 121(10):4657-64. PubMed ID: 15332897
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F
    Muralidharan A; Pratt LR; Chaudhari MI; Rempe SB
    J Phys Chem A; 2018 Dec; 122(51):9806-9812. PubMed ID: 30475612
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Absolute ion hydration free energy scale and the surface potential of water via quantum simulation.
    Shi Y; Beck TL
    Proc Natl Acad Sci U S A; 2020 Dec; 117(48):30151-30158. PubMed ID: 33203676
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ion-water clusters, bulk medium effects, and ion hydration.
    Merchant S; Dixit PD; Dean KR; Asthagiri D
    J Chem Phys; 2011 Aug; 135(5):054505. PubMed ID: 21823710
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Ab Initio Molecular Dynamics Study of Aqueous Solutions of Magnesium and Calcium Nitrates: Hydration Shell Structure, Dynamics and Vibrational Echo Spectroscopy.
    Das B; Chandra A
    J Phys Chem B; 2022 Jan; 126(2):528-544. PubMed ID: 35001626
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Polarization and charge transfer in the hydration of chloride ions.
    Zhao Z; Rogers DM; Beck TL
    J Chem Phys; 2010 Jan; 132(1):014502. PubMed ID: 20078167
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Evaluating Simple
    Park SJ; Schwartz BJ
    J Phys Chem B; 2020 Oct; 124(43):9592-9603. PubMed ID: 33078930
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Proton hydration in aqueous solution: Fourier transform infrared studies of HDO spectra.
    Smiechowski M; Stangret J
    J Chem Phys; 2006 Nov; 125(20):204508. PubMed ID: 17144716
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Absolute proton hydration free energy, surface potential of water, and redox potential of the hydrogen electrode from first principles: QM/MM MD free-energy simulations of sodium and potassium hydration.
    Hofer TS; Hünenberger PH
    J Chem Phys; 2018 Jun; 148(22):222814. PubMed ID: 29907057
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.