BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

184 related articles for article (PubMed ID: 29561004)

  • 1. Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution.
    Giovannini T; Del Frate G; Lafiosca P; Cappelli C
    Phys Chem Chem Phys; 2018 Apr; 20(14):9181-9197. PubMed ID: 29561004
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Effective Fully Polarizable QM/MM Approach To Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solution.
    Giovannini T; Olszòwka M; Cappelli C
    J Chem Theory Comput; 2016 Nov; 12(11):5483-5492. PubMed ID: 27704812
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Determination of absolute configuration of chiral molecules using vibrational optical activity: a review.
    He Y; Wang B; Dukor RK; Nafie LA
    Appl Spectrosc; 2011 Jul; 65(7):699-723. PubMed ID: 21740631
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides.
    Jose KV; Raghavachari K
    Chirality; 2016 Dec; 28(12):755-768. PubMed ID: 27897329
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Calculations of vibrationally resonant sum- and difference-frequency-generation spectra of chiral molecules in solutions: three-wave-mixing vibrational optical activity.
    Choi JH; Cheon S; Cho M
    J Chem Phys; 2010 Feb; 132(7):074506. PubMed ID: 20170236
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Vibrational optical activity: From discovery and development to future challenges.
    Nafie LA
    Chirality; 2020 May; 32(5):667-692. PubMed ID: 32084296
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The Clusters-in-a-Liquid Approach for Solvation: New Insights from the Conformer Specific Gas Phase Spectroscopy and Vibrational Optical Activity Spectroscopy.
    Perera AS; Thomas J; Poopari MR; Xu Y
    Front Chem; 2016; 4():9. PubMed ID: 26942177
    [TBL] [Abstract][Full Text] [Related]  

  • 8. IR, Raman, and Vibrational Optical Activity Spectra of Methyl Glycidate in Chloroform and Water: The Clusters-in-a-liquid Solvation Model.
    Perera AS; Cheramy J; Merten C; Thomas J; Xu Y
    Chemphyschem; 2018 Sep; 19(17):2234-2242. PubMed ID: 29768716
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination.
    Polavarapu PL; Covington CL
    Chirality; 2014 Sep; 26(9):539-52. PubMed ID: 24644231
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Comparison of IR and Raman forms of vibrational optical activity.
    Nafie LA; Yu GS; Qu X; Freedman TB
    Faraday Discuss; 1994; (99):13-34; discussion 87-101. PubMed ID: 7549537
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simulations of solid-state vibrational circular dichroism spectroscopy of (S)-alternarlactam by using fragmentation quantum chemical calculations.
    Jiang N; Tan RX; Ma J
    J Phys Chem B; 2011 Mar; 115(12):2801-13. PubMed ID: 21391541
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Direct Calculations of Mid- and Near-IR Absorption and Circular Dichroism Spectra of Chiral Molecules Using QM/MM Molecular Dynamics Simulation Method.
    Choi JH; Cho M
    J Chem Theory Comput; 2011 Dec; 7(12):4097-103. PubMed ID: 26598355
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution.
    Sepali C; Lafiosca P; Gómez S; Giovannini T; Cappelli C
    Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jan; 305():123485. PubMed ID: 37827000
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Infrared optical activity: electric field approaches in time domain.
    Rhee H; Choi JH; Cho M
    Acc Chem Res; 2010 Dec; 43(12):1527-36. PubMed ID: 20931956
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Tackling Stereochemistry in Drug Molecules with Vibrational Optical Activity.
    Bogaerts J; Aerts R; Vermeyen T; Johannessen C; Herrebout W; Batista JM
    Pharmaceuticals (Basel); 2021 Aug; 14(9):. PubMed ID: 34577577
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Vibrational optical activity of cysteine in aqueous solution: a comparison of theoretical and experimental spectra.
    Kamiński M; Kudelski A; Pecul M
    J Phys Chem B; 2012 Apr; 116(16):4976-90. PubMed ID: 22452552
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Chirality transfer through hydrogen-bonding: experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water.
    Losada M; Xu Y
    Phys Chem Chem Phys; 2007 Jun; 9(24):3127-35. PubMed ID: 17612736
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Probing chiral solute-water hydrogen bonding networks by chirality transfer effects: a vibrational circular dichroism study of glycidol in water.
    Yang G; Xu Y
    J Chem Phys; 2009 Apr; 130(16):164506. PubMed ID: 19405593
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Raman optical activity of tetra-alanine in the poly(l-proline) II type peptide conformation.
    Furuta M; Fujisawa T; Urago H; Eguchi T; Shingae T; Takahashi S; Blanch EW; Unno M
    Phys Chem Chem Phys; 2017 Jan; 19(3):2078-2086. PubMed ID: 28045149
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Isotopic difference spectra as an aide in determining absolute configuration using vibrational optical activity: vibrational circular dichroism of 13C- and 2H-labelled nonamethoxy cyclotriveratrylene.
    Freedman TB; Cao X; Luz Z; Zimmermann H; Poupko R; Nafie LA
    Chirality; 2008 May; 20(5):673-80. PubMed ID: 18200587
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.