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 *

206 related articles for article (PubMed ID: 34069244)

  • 1. Sensitivity of Intra- and Intermolecular Interactions of Benzo[h]quinoline from Car-Parrinello Molecular Dynamics and Electronic Structure Inspection.
    Panek JJ; Zasada J; Szyja BM; Kizior B; Jezierska A
    Int J Mol Sci; 2021 May; 22(10):. PubMed ID: 34069244
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives.
    Wojtkowiak K; Jezierska A; Panek JJ
    Molecules; 2022 Apr; 27(7):. PubMed ID: 35408698
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives.
    Wojtkowiak K; Jezierska A
    Molecules; 2022 Dec; 27(24):. PubMed ID: 36557978
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces.
    Kułacz K; Pocheć M; Jezierska A; Panek JJ
    Molecules; 2021 Sep; 26(18):. PubMed ID: 34577113
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Competition of Intra- and Intermolecular Forces in Anthraquinone and Its Selected Derivatives.
    Raczyński K; Pihut A; Panek JJ; Jezierska A
    Molecules; 2021 Jun; 26(11):. PubMed ID: 34204133
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Non-Covalent Forces in Naphthazarin-Cooperativity or Competition in the Light of Theoretical Approaches.
    Jezierska A; Błaziak K; Klahm S; Lüchow A; Panek JJ
    Int J Mol Sci; 2021 Jul; 22(15):. PubMed ID: 34360798
    [TBL] [Abstract][Full Text] [Related]  

  • 7. First-Principle Molecular Dynamics Study of Selected Schiff and Mannich Bases:  Application of Two-Dimensional Potential of Mean Force to Systems with Strong Intramolecular Hydrogen Bonds.
    Jezierska A; Panek JJ
    J Chem Theory Comput; 2008 Mar; 4(3):375-84. PubMed ID: 26620779
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study.
    Stare J; Mavri J; Grdadolnik J; Zidar J; Maksić ZB; Vianello R
    J Phys Chem B; 2011 May; 115(19):5999-6010. PubMed ID: 21517054
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuum.
    Jezierska A; Panek JJ; Koll A; Mavri J
    J Chem Phys; 2007 May; 126(20):205101. PubMed ID: 17552801
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Unraveling the Nature of Hydrogen Bonds of "Proton Sponges" Based on Car-Parrinello and Metadynamics Approaches.
    Kizior B; Michalczyk M; Panek JJ; Zierkiewicz W; Jezierska A
    Int J Mol Sci; 2023 Jan; 24(2):. PubMed ID: 36675059
    [TBL] [Abstract][Full Text] [Related]  

  • 11. How Substitution Combines with Non-Covalent Interactions to Modulate 1,4-Naphthoquinone and Its Derivatives Molecular Features-Multifactor Studies.
    Pocheć M; Kułacz K; Panek JJ; Jezierska A
    Int J Mol Sci; 2021 Sep; 22(19):. PubMed ID: 34638700
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase.
    Durlak P; Berski S; Latajka Z
    J Mol Model; 2011 Nov; 17(11):2995-3004. PubMed ID: 21360182
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Car-Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate.
    Pirc G; Stare J; Mavri J
    J Chem Phys; 2010 Jun; 132(22):224506. PubMed ID: 20550407
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
    Jezierska A; Panek J; Borstnik U; Mavri J; Janezic D
    J Phys Chem B; 2007 May; 111(19):5243-8. PubMed ID: 17447809
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Coherent nuclear wavepacket motions in ultrafast excited-state intramolecular proton transfer: sub-30-fs resolved pump-probe absorption spectroscopy of 10-hydroxybenzo[h]quinoline in solution.
    Takeuchi S; Tahara T
    J Phys Chem A; 2005 Nov; 109(45):10199-207. PubMed ID: 16833312
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Inside out Approach to Rotator State in Hydrogen-Bonded System-Experimental and Theoretical Cross-Examination in n-Octanol.
    Pocheć M; Krupka KM; Panek JJ; Orzechowski K; Jezierska A
    Int J Mol Sci; 2022 Feb; 23(4):. PubMed ID: 35216257
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Investigations of the very short hydrogen bond in the crystal of nitromalonamide via Car-Parrinello and path integral molecular dynamics.
    Durlak P; Mierzwicki K; Latajka Z
    J Phys Chem B; 2013 May; 117(18):5430-40. PubMed ID: 23577601
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Spectroscopic properties of a strongly anharmonic Mannich base N-oxide.
    Jezierska A; Panek JJ; Koll A
    Chemphyschem; 2008 Apr; 9(6):839-46. PubMed ID: 18338342
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
    J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
    [TBL] [Abstract][Full Text] [Related]  

  • 20. "Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics.
    Jezierska A; Panek JJ
    J Chem Inf Model; 2015 Jun; 55(6):1148-57. PubMed ID: 25965324
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.