P. Lagant

发表

Increasing normal modes analysis accuracy: The SPASIBA spectroscopic force field introduced into the CHARMM program

M. Karplus, R. Stote, G. Vergoten, 2004 .

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

G. Vergoten, P. Lagant, W. Peticolas, 1998, Biospectroscopy.

Raman spectroscopy and normal vibrations of peptides

Gérard Vergoten, G. Fleury, G. Vergoten, 1984 .

Normal coordinate treatment of Leu5‐enkephalin in the crystal state

J. Laureyns, A. Aubry, G. Vergoten, 1993 .

Normal modes of vibration of a model peptide adopting the C7 C5 structure. Application toi angiotensin II.

G. Vergoten, P. Lagant, M. Loucheux-Lefebvre, 2009, International journal of peptide and protein research.

Raman spectroscopic evidence for β‐turn conformation

G. Vergoten, P. Lagant, M. Loucheux-Lefebvre, 1984 .

Vibrational normal modes of folded prolyl-containing peptides. Application to beta turns.

G. Vergoten, P. Lagant, M. Loucheux-Lefebvre, 1984, European journal of biochemistry.

Raman spectra and normal vibrations of dipeptides. I. Glycylglycine

G. Vergoten, P. Lagant, M. Loucheux-Lefebvre, 1983, Biopolymers.

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

G. Vergoten, P. Lagant, M. Dauchez, 1992 .

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

G. Vergoten, P. Lagant, G. Strecker, 2002, The Journal of Biological Chemistry.

Dynamical analysis of low-frequency depolarized Raman spectra of a neat monodisperse hyperbranched polymer between 333 and 123 K: Poly(propylene imine) DAB-dendr-(CN)64

G. Vergoten, P. Lagant, W. Rothschild, 2002 .

A density functional derived vibrational force field for β-ionone: Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

G. Vergoten, P. Lagant, A. Zanoun, 1999 .

Determination of force fields for nucleic acid bases. use of the ultraviolet resonance Raman intensities to check the vibrational assignments

G. Vergoten, P. Lagant, W. Peticolas, 1999 .

A density functional theory derived force field for p-cresol. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

G. Vergoten, P. Lagant, H. Gallouj, 1995 .

Comparison of the IR and Raman vibrational frequencies and intensities of alkanes using the AMBER and SPASIBA force fields. Application to ethane, and gauche- and trans-n-butane

P. Derreumaux, G. Vergoten, P. Lagant, 1993 .

A Comparative X-ray Diffraction Study and Ab Initio Calculation on RU60358, a New Pyrethroid

G. Vergoten, P. Lagant, A. Chouaih, 2006 .

The effect of urea on the structure of water: a molecular dynamics simulation.

G. Vergoten, P. Lagant, A. Idrissi, 2010, The journal of physical chemistry. B.

A vibrational molecular force field of model compounds with biological interest. I. Harmonic dynamics of crystalline urea at 123 K

Gérard Vergoten, P. Derreumaux, G. Vergoten, 1990 .

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

G. Vergoten, P. Lagant, H. Gallouj, 1997 .

Raman spectra and normal vibrations of dipeptides. II. Glycyl‐L‐proline

J. Huvenne, G. Vergoten, P. Lagant, 1983, Biopolymers.

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

G. Vergoten, P. Lagant, D. Yapo-Kicho, 2007, International Journal of Molecular Sciences.

Study of Poly(L-aspartic acid). I. Laser Raman Spectrometry

G. Vergoten, P. Lagant, G. Fleury, 1979 .

Effects of Solvation on the Ultraviolet Resonance Raman Intensities of PI-Electrons Systems:

G. Vergoten, P. Lagant, 1993 .

Force field and vibrational spectra of oligosaccharides with different glycosidic linkages—Part II. Maltose monohydrate, cellobiose and gentiobiose

P. Derreumaux, G. Vergoten, P. Lagant, 1994 .

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

P. Derreumaux, G. Vergoten, P. Lagant, 1991 .

Binding Specificity of Recombinant Odorant-Binding Protein Isoforms is Driven by Phosphorylation

G. Vergoten, P. Lagant, P. Nagnan-Le Meillour, 2010, Journal of Chemical Ecology.

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.

G. Vergoten, P. Lagant, N. Benharrats, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Phenylalanine 35 and tyrosine 82 are involved in the uptake and release of ligand by porcine odorant-binding protein.

G. Vergoten, P. Lagant, J. Michalski, 2009, Biochimica et biophysica acta.

Evidence for a Lectin Activity for Human Interleukin 3 and Modeling of Its Carbohydrate Recognition Domain*

G. Vergoten, P. Lagant, E. Maes, 2002, The Journal of Biological Chemistry.

The SPASIBA force field for chondroitin sulfate: vibrational analysis of D-glucuronic and N-acetyl-D-galactosamine 4-sulfate sodium salts.

G. Vergoten, P. Lagant, A. Semmoud, 2006, The journal of physical chemistry. A.

The SPASIBA force field as an essential tool for studying the structure and dynamics of saccharides.

G. Vergoten, P. Lagant, J. Michalski, 2003, Biochimie.

Development of the force field parameters for phosphoimidazole and phosphohistidine

Roman G. Efremov, Alexander S. Arseniev, Gérard Vergoten, 2004, J. Comput. Chem..

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

P. Derreumaux, G. Vergoten, P. Lagant, 1994 .

Normal‐coordinate treatment of a nucleic base pair model in its crystalline state: 1‐Methylcytosine–9‐ethylguanine

Philippe Derreumaux, Gérard Vergoten, P. Derreumaux, 1990 .

Resonance Raman enhancement for adenine and guanine residues

Ph. Millié, G. Vergoten, P. Lagant, 1994 .

Resonance Raman Enhancement for Guanine Residue

G. Vergoten, P. Lagant, P. Millié, 1993 .

Normal modes calculation for benzene in a local symmetry force field

G. Vergoten, P. Lagant, F. Hamdache, 1989 .

Estimation of an Urey–Bradley force field from ab initio calculations

G. Vergoten, P. Lagant, 1997 .