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1

Assigning the 625 cm−1 and other high frequency Raman bands of the Z1 form of DNA using a normal modes analysis and computer graphics

G Vergoten, P Lagant, W.L. Peticolas, Y Moschetto, I Morize, M.C. Vaney, J P Mornon

Journal:

Journal of Molecular Graphics

Year:

1986

Language:

english

File:

PDF, 394 KB

english, 1986

2

Structure moléculaire des dérivés nitrés aromatiques. I. Etats électroniques singulets du mono et du 1,3,5-trinitrobenzène

J. Boileau, M. Blain, S. Odiot, J.-M. Leclercq, S. Fliszar, G. Vergoten, C. Fleury

Journal:

Propellants, Explosives, Pyrotechnics

Year:

1981

File:

PDF, 285 KB

1981

3

Predicting carbohydrate chain and heterocyclic ring coupling constants in monosaccharides using gmmx conformational searching 1

Fred L. Tobiason, Gérard Vergoten, Joël Mazurier

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 1.03 MB

english, 1997

4

Resonance Raman spectra for purine

M Majoube, Ph Millié, L Chinsky, P.Y Turpin, G Vergoten

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 863 KB

english, 1995

5

Spectroscopie Vibrationnelle de Cristaux Liquides: 1 spectres Raman de la ( p -méthoxy)benzylidène ( p-n -butyl)aniline (MBBA) dans les phases solide, nematique et liquide isotrope

Vergoten, Gérard, Fleury, Guy

Journal:

Molecular Crystals and Liquid Crystals

Year:

1975

Language:

english

File:

PDF, 423 KB

english, 1975

6

Molecular mechanics investigation of some acrylic polymers using SPASIBA force field

Bensaid, M.O., Ghalouci, L., Hiadsi, S., Lakhdari, F., Benharrats, N., Vergoten, G.

Journal:

Vibrational Spectroscopy

Year:

2014

Language:

english

File:

PDF, 920 KB

english, 2014

7

N-glycosylation of High Mobility Group Box 1 protein (HMGB1) modulates the interaction with glycyrrhizin: a molecular modeling study

Vergoten, GÃ©rard, Bailly, Christian

Journal:

Computational Biology and Chemistry

Year:

2020

File:

PDF, 1.91 MB

2020

8

The Effect of Urea on the Structure of Water: A Molecular Dynamics Simulation

Idrissi, A., Gerard, M., Damay, P., Kiselev, M., Puhovsky, Y., Cinar, E., Lagant, P., Vergoten, G.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 386 KB

english, 2010

9

Glycyrrhizin: An alternative drug for the treatment of COVID-19 infection and the associated respiratory syndrome?

Bailly, Christian, Vergoten, GÃ©rard

Journal:

Pharmacology & Therapeutics

Year:

2020

File:

PDF, 703 KB

2020

10

Density functional theory and empirical derived force fields for the delocalized polaron form of polyaniline: Application to properties determination of an isolated oligomer using molecular dynamics simulations

Z. Cherrak, P. Lagant, N. Benharrats, A. Semmoud, F. Hamdache, G. Vergoten

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2005

Language:

english

File:

PDF, 133 KB

english, 2005

11

Esculentosides: Insights into the potential health benefits, mechanisms of action and molecular targets

Bailly, Christian, Vergoten, GÃ©rard

Journal:

Year:

2020

File:

PDF, 2.26 MB

2020

12

The SPASIBA Force Field for Studying Iron-Tannins Interactions : Application to Fe3+ /Fe2+ Catechol Complexe

Yapo-Kicho, D., Lagant, P., Vergoten, G.

Journal:

International Journal of Molecular Sciences

Year:

2007

Language:

english

File:

PDF, 212 KB

english, 2007

13

The use of ultraviolet resonance Raman intensities to test proposed molecular force fields for nucleic acid bases

Philippe Lagant, Philippe Derreumaux, Gerard Vergoten, Warner Peticolas

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 1.02 MB

english, 1991

14

Lattice vibrations of crystalline diazepam (Valium)

J. Dumetz, G. Vergoten, J. P. Huvenne, G. Fleury

Journal:

Journal of Raman Spectroscopy

Year:

1981

Language:

english

File:

PDF, 259 KB

english, 1981

15

Transition dipole—dipole coupling interactions in the B form of stearic acid single crystals

C. Vergoten, G. Fleury

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 240 KB

english, 1984

16

The molecular linear polarizability from X-ray diffraction study. The case of 3-Methyl 4-Nitropyridine N-oxide (POM)

Fodil Hamzaoui, Abdelwahab Zanoun, Gérard Vergoten

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 139 KB

english, 2004

17

Structure and reactivity of cycloimmonium ylides. Theoretical study in triazolium ylides by AM1, PM3 and DFT procedure methods

Georgiana G Surpateanu, François Delattre, Patrice Woisel, Gérard Vergoten, Gheorghe Surpateanu

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 134 KB

english, 2003

18

The SPASIBA force field of aldehydes. Part II: structure and vibrational wavenumbers of ethandial, propenal and 2-methylpropenal

V Durier, A Zanouna, A Belaidi, G Vergoten

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 134 KB

english, 1999

19

Force-field and vibrational spectra of oligosaccharides with different glycosidic linkages—Part I. Trehalose dihydrate, sophorose monohydrate and laminaribiose

Manuel Dauchez, Philippe Derreumaux, Philippe Lagant, Gérard Vergoten, Majda Sekkal, Pierre Legrand

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1994

Language:

english

File:

PDF, 964 KB

english, 1994

20

Etude par spectroscopie Raman de quelques anorexigenes—I: Anorexigenes N-substitues

A.P. Gamot, G. Vergoten, G. Fleury

Journal:

Year:

1981

File:

PDF, 755 KB

1981

21

Molecular dynamics simulations of a monofucosylated biantennary glycan of the N-acetyllactosamine type: the human lactotransferrin glycan

M. Dauchez, J. Mazurier, J. Montreuil, G. Spik, G. Vergoten

Journal:

Year:

1992

Language:

english

File:

PDF, 2.36 MB

english, 1992

22

Vibrational Spectroscopy of Liquid Crystals: IV. Infrared and Far Infrared Spectra of the MBBA and EBBA Liquid Crystals

Vergoten, Gérard, Fleury, Guy, Jones, R. Norman, Nadeau, Armand

Journal:

Molecular Crystals and Liquid Crystals

Year:

1976

Language:

english

File:

PDF, 434 KB

english, 1976

23

Function and Molecular Modeling of the Interaction between Human Interleukin 6 and Its HNK-1 Oligosaccharide Ligands

Cebo, Christelle, Durier, Viviane, Lagant, Philippe, Maes, Emmanuel, Florea, Doina, Lefebvre, Tony, Strecker, Gérard, Vergoten, Gérard, Zanetta, Jean-Pierre

Journal:

Journal of Biological Chemistry

Year:

2002

Language:

english

File:

PDF, 782 KB

english, 2002

24

FP-LMTO investigation of the structural, electronic and magnetic properties of Heusler compounds Ru 2 CrZ(Ge, Sn, Si)

Bahlouli, S., Aarizou, Z., Elchikh, M., Vergoten, G., Tiberto, P., Affronte, M., Casoli, F., de Julián Fernández, C., Gubbiotti, G., Marquina, C., Pratt, F., Solzi, M., Tacchi, S., Vavassori, P.

Journal:

EPJ Web of Conferences

Year:

2013

Language:

english

File:

PDF, 1.59 MB

english, 2013

25

A force field derived by density functional theory for 4-ethylimidazole: use of the ultraviolet resonance Raman intensities to check the vibrational analysis

H. Gallouj, P. Lagant, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1997

Language:

english

File:

PDF, 238 KB

english, 1997

26

Programme d'Identification Moléculaire Informatisée à Partir de Spectres Raman. Exemples d'Inclusions Fluides dans les Minéraux

A. Benosman, G. Vergoten, Y. Moschetto, G. Fleury

Journal:

Journal of Raman Spectroscopy

Year:

1987

File:

PDF, 403 KB

1987

27

Champ de forces de symetrie locale de molecules cycliques: III. Interprétation des spectres de vibration du glucose cristallisé sous les deux formes α et β

J.P. Huvenne, G. Vergoten, G. Fleury, P. Legrand

Journal:

Journal of Molecular Structure

Year:

1981

File:

PDF, 1.04 MB

1981

28

Vibrational spectroscopy of liquid crystals: 2. Normal coordinate analysis of benzaniline: basis structure for some liquid crystals

Gerard Vergoten, Guy Fleury

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 821 KB

english, 1976

29

Normal coordinate treatment of 1-methylthymine in the crystalline state: Use of the ultraviolet resonance Raman intensities to improve the vibrational force field

P. Lagant, G. Vergoten, R. Efremov, W.L. Peticolas

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1994

Language:

english

File:

PDF, 559 KB

english, 1994

30

A density functional theory study on the reactivity of monosubstituted cycloimmonium ylides

Yasser Karzazi, Gerard Vergoten, Gheorghe Surpateanu

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 209 KB

english, 1999

31

Etude vibrationelle de basse fréquence de l'oxyde de plomb Pb3O4. Relation entre l'évolution des spectres et les transitions ferroélectrique et ferroélastique de la maille

J. P. Huvenne, G. Vergoten, B. Boniface, G. Fleury, P. Legrand

Journal:

physica status solidi (a)

Year:

1978

File:

PDF, 459 KB

1978

32

Amino acid residue: is it structural or functional?

Alexander P. Golovanov, Roman G. Efremov, Victor A. Jaravine, Gérard Vergoten, Alexander S. Arseniev

Journal:

Year:

1995

Language:

english

File:

PDF, 502 KB

english, 1995

33

Specific histamine release capacity of peptides selected from the modelized der P I protein, a major allergen of Dermatophagoides pteronyssinus

Pascale Jeannin, Alain Didierlaurent, Héléne Gras-Masse, Abdel Aziz Elass, Yves Delneste, Eric Cardot, Michel Joseph, André Tartar, Gérard Vergoten, Joël pestel

Journal:

Molecular Immunology

Year:

1992

Language:

english

File:

PDF, 1.67 MB

english, 1992

34

PhytAMP: a database dedicated to antimicrobial plant peptides

Hammami, R., Ben Hamida, J., Vergoten, G., Fliss, I.

Journal:

Nucleic Acids Research

Year:

2009

Language:

english

File:

PDF, 5.47 MB

english, 2009

35

ChemInform Abstract: LOCAL SYMMETRY FORCE FIELDS OF CYCLIC MOLECULES. III. INTERPRETATION OF VIBRATIONAL SPECTRA OF CRYSTALLINE α- AND β-GLUCOSE

HUVENNE, J. P., VERGOTEN, G., FLEURY, G., LEGRAND, P.

Journal:

Chemischer Informationsdienst

Year:

1981

File:

PDF, 108 KB

1981

36

Comparative Study of Aryl O-, C-, and S-Mannopyranosides as Potential Adhesion Inhibitors toward Uropathogenic E. coli FimH

Mousavifar, Leila, Vergoten, Gérard, Charron, Guillaume, Roy, René

Journal:

Year:

2019

Language:

english

File:

PDF, 1.95 MB

english, 2019

37

On the use of ultraviolet resonance Raman intensities to elaborate molecular force fields: Application to nucleic acid bases and aromatic amino acid residues models

P. Lagant, G. Vergoten, W. L. Peticolas

Journal:

Biospectroscopy

Year:

1998

Language:

english

File:

PDF, 177 KB

english, 1998

38

A comparative molecular field analysis of the structure of cycloimmonium ylides. A derived synthesis methodology for planar and non-planar cycloimmonium ylides

Yasser Karzazi, Gerard Vergoten, Gheorghe Surpateanu

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 325 KB

english, 1999

39

Structure of dicyano-pyridinium methylide and amidocyano-pyridinium methylide using ab initio and semi-empirical methods

Yasser Karzazi, Gerard Vergoten, Gheorghe Surpateanu

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 747 KB

english, 1997

40

Metal hexacarbonyls (O) entrapped in zeolite cages : electrostatic field and intermolecular vibrational interactions

H. Boulet-Des Grousilliers, C. Brémard, M. Dauchez, G. Vergoten

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 574 KB

english, 1992

41

SPIE Proceedings [SPIE O-E/LASE'86 Symp (January 1986, Los Angeles) - Los Angeles, CA (Tuesday 21 January 1986)] Laser Applications in Chemistry and Biophysics - Ultraviolet Resonance Raman Spectroscopy Of Nucleic Acid Chromophores

Peticolas, Warner L., Lagant, Philippe, Vergoten, Gerard, El-Sayed, Mostafa A.

Year:

1986

Language:

english

File:

PDF, 190 KB

english, 1986

42

NEW SYNTHESIS OF TRIAZOLO[5,1-a] AND [3,4-a]ISOINDOLES BY INTERNAL ELECTROCYCLISATION OF DISUBSTITUTED TRIAZOLIUM YLIDES

Surpateanu, Georgiana G., Woisel, Patrice, Vergoten, Gerard, Surpateanu, Gheorghe

Journal:

Heterocyclic Communications

Year:

2003

Language:

english

File:

PDF, 649 KB

english, 2003

43

Spectres de Vibration et Structure de l'Octamethylcyclotetrasilazane [(CH3)2SiNH]4 dans les Etats Gazeux, Liquide et Cristallin

M. Imbenotte, G. Palavit, Ep. Legrand, J. P. Huvenne, Et G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1977

File:

PDF, 355 KB

1977

44

A semiempirical scaled force field for simple short-chain phosphazenes Cl3PN(PCl2N)n−1P(O)Cl2 (n = 1 and 2)

A. Elass, P. Dhamelincourt, R. Becquet, G. Vergoten

Journal:

Journal of Molecular Structure

Year:

1996

Language:

english

File:

PDF, 849 KB

english, 1996

45

Molecular modeling of a disialylated monofucosylated biantennary glycan of theN-acetyllactosamine type

Joel Mazurier, Manuel Dauchez, Gerard Vergoten, Jean Montreuil, Genevieve Spik

Journal:

Glycoconjugate Journal

Year:

1991

Language:

english

File:

PDF, 1.44 MB

english, 1991

46

A new “hydrophobic template” method detects segments forming transmembrane α-helical bundles in ion channels

Roman G. Efremov, Gérard Vergoten, Alexander S. Arseniev

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 186 KB

english, 1999

47

The structures and vibrational frequencies of a series of aliphatic alcohols as obtained using the spectroscopic potential SPASIBA

Frankie Tristram, Viviane Durier, Gérard Vergoten

Journal:

Journal of Molecular Structure

Year:

1996

Language:

english

File:

PDF, 520 KB

english, 1996

48

Normal modes of vibration of a model peptide adopting the C7 C5 structure : Application to angiotensin II

P. LAGANT, G. VERGOTEN, G. FLEURY, M.H. LOUCHEUX-LEFEBVRE

Journal:

Chemical Biology & Drug Design

Year:

1984

Language:

english

File:

PDF, 528 KB

english, 1984

49

Spectrometric study on the triazolium ylides

Badea, Irinel, Surpateanu, Georgiana G., Woisel, Patrice, Vergoten, G??rard, Surpateanu, Gheorghe

Journal:

New Journal of Chemistry

Year:

2002

Language:

english

File:

PDF, 113 KB

english, 2002

50

Ab initio vibrational calculations on ara-T molecule: Application to analysis of IR and Raman spectra

Belén Hernández, Raquel Navarro, Gérard Vergoten, Antonio Hernanz

Journal:

Year:

2001

Language:

english

File:

PDF, 392 KB

english, 2001

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