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 *

144 related articles for article (PubMed ID: 30056713)

  • 21. A Car-Parrinello and path integral molecular dynamics study of the intramolecular lithium bond in the lithium 2-pyridyl-N-oxide acetate.
    Durlak P; Latajka Z; Berski S
    J Chem Phys; 2009 Jul; 131(2):024308. PubMed ID: 19603992
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. 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]  

  • 24. Comparison of resonance assisted and charge assisted effects in strengthening of hydrogen bonds in dipyrrins.
    Panek JJ; Jezierska-Mazzarello A; Lipkowski P; Martyniak A; Filarowski A
    J Chem Inf Model; 2014 Jan; 54(1):86-95. PubMed ID: 24392989
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Molecular properties investigation of a substituted aromatic mannich base: dynamic and static models.
    Jezierska A; Panek JJ; Filarowski A
    J Chem Inf Model; 2007; 47(3):818-31. PubMed ID: 17407279
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 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]  

  • 27. Evaluation of hydrogen bond networks in cellulose Iβ and II crystals using density functional theory and Car-Parrinello molecular dynamics.
    Hayakawa D; Nishiyama Y; Mazeau K; Ueda K
    Carbohydr Res; 2017 Sep; 449():103-113. PubMed ID: 28759814
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Renewed spectroscopic and theoretical research of hydrogen bonding in ascorbic acid.
    Jóźwiak K; Jezierska A; Panek JJ; Łydżba-Kopczyńska B; Filarowski A
    Spectrochim Acta A Mol Biomol Spectrosc; 2024 Nov; 320():124585. PubMed ID: 38850825
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 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]  

  • 30. Theoretical study of intramolecular hydrogen bond in selected symmetric "proton sponges" on the basis of DFT and CPMD methods.
    Jezierska A; Panek JJ
    J Mol Model; 2020 Jan; 26(2):37. PubMed ID: 31989276
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds.
    Brela MZ; Wójcik MJ; Boczar M; Witek Ł; Yasuda M; Ozaki Y
    J Phys Chem B; 2015 Jun; 119(25):7922-30. PubMed ID: 26028251
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Proton transfer dynamics in the propionic acid dimer from path integral molecular dynamics calculations.
    Durlak P; Latajka Z
    J Mol Model; 2011 Sep; 17(9):2159-68. PubMed ID: 21213001
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 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]  

  • 35. 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]  

  • 36. Variable-temperature X-ray crystallographic and DFT computational study of the N-H...O/N...H-O tautomeric competition in 1-(Arylazo)-2-naphthols. Outline of a transition-state hydrogen-bond theory.
    Gilli P; Bertolasi V; Pretto L; Antonov L; Gilli G
    J Am Chem Soc; 2005 Apr; 127(13):4943-53. PubMed ID: 15796560
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Low-Barrier Hydrogen Bond in Fujikurin A-D: A Computational Study.
    Tanaka H; Kuwahata K; Tachikawa M; Udagawa T
    ACS Omega; 2022 Apr; 7(16):14244-14251. PubMed ID: 35559150
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Molecular property investigations of an ortho-hydroxy Schiff base type compound with the first-principle molecular dynamics approach.
    Jezierska-Mazzarello A; Vuilleumier R; Panek JJ; Ciccotti G
    J Phys Chem B; 2010 Jan; 114(1):242-53. PubMed ID: 20017543
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: case study with the NH3-HCl dimer.
    Ong SW; Lee BX; Kang HC
    J Chem Phys; 2011 Sep; 135(10):104107. PubMed ID: 21932876
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Intermolecular Interactions and Spectroscopic Signatures of the Hydrogen-Bonded System-n-Octanol in Experimental and Theoretical Studies.
    Pocheć M; Krupka KM; Panek JJ; Orzechowski K; Jezierska A
    Molecules; 2022 Feb; 27(4):. PubMed ID: 35209010
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.