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 *

159 related articles for article (PubMed ID: 37698951)

  • 1. Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings.
    Gandolfi M; Ceotto M
    J Chem Theory Comput; 2023 Sep; 19(18):6093-6108. PubMed ID: 37698951
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational spectrum of katoite Ca3Al2[(OH)4]3: a periodic ab initio study.
    Orlando R; Torres FJ; Pascale F; Ugliengo P; Zicovich-Wilson C; Dovesi R
    J Phys Chem B; 2006 Jan; 110(2):692-701. PubMed ID: 16471590
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Vibrational dynamics of DNA. I. Vibrational basis modes and couplings.
    Lee C; Park KH; Cho M
    J Chem Phys; 2006 Sep; 125(11):114508. PubMed ID: 16999491
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Vibrational dynamics of hydrogen-bonded complexes in solutions studied with ultrafast infrared pump-probe spectroscopy.
    Banno M; Ohta K; Yamaguchi S; Hirai S; Tominaga K
    Acc Chem Res; 2009 Sep; 42(9):1259-69. PubMed ID: 19754112
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical model for a tetrad of hydrogen bonds and its application to interpretation of infrared spectra of salicylic acid.
    Boczar M; Boda Ł; Wójcik MJ
    J Chem Phys; 2006 Feb; 124(8):084306. PubMed ID: 16512715
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Dynamical structures of glycol and ethanedithiol examined by infrared spectroscopy, ab initio computation, and molecular dynamics simulations.
    Ma X; Cai K; Wang J
    J Phys Chem B; 2011 Feb; 115(5):1175-87. PubMed ID: 21208002
    [TBL] [Abstract][Full Text] [Related]  

  • 7. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine).
    Singh JS
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():625-40. PubMed ID: 25244296
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. HF trimer: 12D fully coupled quantum calculations of HF-stretch excited intramolecular and intermolecular vibrational states using contracted bases of intramolecular and intermolecular eigenstates.
    Felker PM; Bačić Z
    J Chem Phys; 2023 Jun; 158(23):. PubMed ID: 37338029
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational Relaxation Dynamics of an Azido-Cobalt(II) Complex from Femtosecond UV-Pump/MIR-Probe Spectroscopy and Model Simulations with Ab Initio Anharmonic Couplings.
    Straub S; Stubbe J; Lindner J; Sarkar B; Vöhringer P
    Inorg Chem; 2020 Oct; 59(20):14629-14642. PubMed ID: 32395987
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Vibrational spectra, DFT calculations, unusual structure, anomalous CH2 wagging and twisting modes, and phase-dependent conformation of 1,3-disilacyclobutane.
    Rishard MZ; Irwin RM; Laane J
    J Phys Chem A; 2007 Feb; 111(5):825-31. PubMed ID: 17266222
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.
    Elsaesser T
    Acc Chem Res; 2009 Sep; 42(9):1220-8. PubMed ID: 19425543
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular-Suitable Approaches.
    Mills JD; Ben-Nun M; Rollin K; Bromley MW; Li J; Hinde RJ; Winstead CL; Sheehy JA; Boatz JA; Langhoff PW
    J Phys Chem B; 2016 Aug; 120(33):8321-37. PubMed ID: 27232159
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical vibrational spectra of OH(-)(H2O)2: the effect of quantum distribution and vibrational coupling.
    Ogata Y; Kawashima Y; Takahashi K; Tachikawa M
    Phys Chem Chem Phys; 2015 Oct; 17(38):25505-15. PubMed ID: 26365920
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm.
    Negrin-Yuvero H; Freixas VM; Rodriguez-Hernandez B; Rojas-Lorenzo G; Tretiak S; Bastida A; Fernandez-Alberti S
    J Chem Theory Comput; 2020 Dec; 16(12):7289-7298. PubMed ID: 33201709
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
    Murarka RK; Liwo A; Scheraga HA
    J Chem Phys; 2007 Oct; 127(15):155103. PubMed ID: 17949219
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.
    Jeon J; Yang S; Choi JH; Cho M
    Acc Chem Res; 2009 Sep; 42(9):1280-9. PubMed ID: 19456096
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Stability of nucleic acid base pairs in organic solvents: molecular dynamics, molecular dynamics/quenching, and correlated ab initio study.
    Zendlová L; Hobza P; Kabelác M
    J Phys Chem B; 2007 Mar; 111(10):2591-609. PubMed ID: 17302446
    [TBL] [Abstract][Full Text] [Related]  

  • 20. N-H stretching excitations in adenosine-thymidine base pairs in solution: pair geometries, infrared line shapes, and ultrafast vibrational dynamics.
    Greve C; Preketes NK; Fidder H; Costard R; Koeppe B; Heisler IA; Mukamel S; Temps F; Nibbering ET; Elsaesser T
    J Phys Chem A; 2013 Jan; 117(3):594-606. PubMed ID: 23234439
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.