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 *

111 related articles for article (PubMed ID: 37021491)

  • 21. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.
    Isac Paulraj E; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():38-49. PubMed ID: 23454843
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO-LUMO analysis and molecular docking study of Opipramol.
    Mary YS; Panicker CY; Kavitha CN; Yathirajan HS; Siddegowda MS; Cruz SM; Nogueira HI; Al-Saadi AA; Van Alsenoy C; War JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():547-59. PubMed ID: 25240828
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid.
    Kavimani M; Balachandran V; Narayana B; Vanasundari K; Revathi B
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Feb; 190():47-60. PubMed ID: 28898821
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Synthesis, structural, spectral, antioxidant, bioactivity and molecular docking investigations of a novel triazole derivative.
    Alaşalvar C; Öztürk N; Gökce H; Güder A; Menteşe E; Bektaş H
    J Biomol Struct Dyn; 2022 Sep; 40(14):6642-6655. PubMed ID: 33594957
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Synthesis, spectroscopic characterization, molecular docking and in vitro cytotoxicity investigations on 8-Amino-6-Methoxy Quinolinium Picrate: a novel breast cancer drug.
    Geetha R; Meera MR; Vijayakumar C; Premkumar R; Milton Franklin Benial A
    J Biomol Struct Dyn; 2023 Mar; 41(5):1753-1766. PubMed ID: 34984960
    [TBL] [Abstract][Full Text] [Related]  

  • 29. FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid.
    Mahalakshmi G; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():535-47. PubMed ID: 24508892
    [TBL] [Abstract][Full Text] [Related]  

  • 30. DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6,6'-Diamino-1,1',3,3'-tetramethyl-5,5'-(4-chlorobenzylidene)bis[pyrimidine-2,4(1H,3H)-dione].
    El-Shamy NT; Alkaoud AM; Hussein RK; Ibrahim MA; Alhamzani AG; Abou-Krisha MM
    Molecules; 2022 Jan; 27(3):. PubMed ID: 35163880
    [TBL] [Abstract][Full Text] [Related]  

  • 31. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
    Karabacak M; Calisir Z; Kurt M; Kose E; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 153():754-70. PubMed ID: 26483317
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Vibrational spectroscopic and molecular docking study of (2E)-N-(4-chloro-2-oxo-1,2-dihydroquinolin-3-yl)-3-phenylprop-2-enamide.
    Ulahannan RT; Panicker CY; Varghese HT; Musiol R; Jampilek J; Van Alsenoy C; War JA; Al-Saadi AA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015; 151():335-49. PubMed ID: 26143326
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Rotational isomers, spectroscopic (FT-IR, FT-Raman) studies and quantum chemical calculations on 2,4,6-tris(dimethylaminomethyl) phenol.
    Karthick T; Balachandran V; Perumal S; Lakshmi A
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():52-66. PubMed ID: 23714184
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis[(E)-anthranyl-9-acrylic]anhydride based on density functional theory calculations.
    Mary YS; Panicker CY; Thiemann T; Al-Azani M; Al-Saadi AA; Van Alsenoy C; Raju K; War JA; Srivastava SK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015; 151():350-9. PubMed ID: 26143327
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Studies of the molecular geometry, vibrational spectra, frontier molecular orbital, nonlinear optical and thermodynamics properties of aceclofenac by quantum chemical calculations.
    Suresh S; Gunasekaran S; Srinivasan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():239-51. PubMed ID: 24556133
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
    Agarwal P; Bee S; Gupta A; Tandon P; Rastogi VK; Mishra S; Rawat P
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():464-82. PubMed ID: 24287056
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate.
    Fatima A; Khanum G; Srivastava SK; Bhattacharya P; Ali A; Arora H; Siddiqui N; Javed S
    J Biomol Struct Dyn; 2023 Dec; 41(20):10411-10429. PubMed ID: 37942665
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
    Chaitanya K
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():159-73. PubMed ID: 22137747
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Electronic absorption and vibrational spectra and nonlinear optical properties of L-valinium succinate.
    Jesintha John C; Xavier TS; Lukose G; Hubert Joe I
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):66-73. PubMed ID: 22020163
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.