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

The journal of physical chemistry. B, 2010-04, Vol.114 (13), p.4731-4738

2010

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Increasing Normal Modes Analysis Accuracy: The SPASIBA Spectroscopic Force Field Introduced into the CHARMM Program

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-05, Vol.108 (18), p.4019-4029

2004

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

International journal of molecular sciences, 2007-03, Vol.8 (3), p.259-272

2007

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

Biochimie, 2003-01, Vol.85 (1), p.65-73

2003

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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

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005-05, Vol.61 (7), p.1419-1429

2005

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Use of the Resonance Raman Intensities To Check the Density Functional Theory Derived Force Field of the Free Base Porphine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-01, Vol.104 (3), p.618-625

2000

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

Journal of Raman spectroscopy, 1999-11, Vol.30 (11), p.1001-1007

1999

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A density functional theory-derived force field for 3-ethylindole. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Raman spectroscopy, 1998-05, Vol.29 (5), p.343-351

1998

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

Journal of molecular structure, 1999-11, Vol.510 (1), p.85-95

1999

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Resonance Raman enhancement for adenine and guanine residues

Journal of Raman spectroscopy, 1994-10, Vol.25 (10), p.821-836

1994

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

International journal of molecular sciences, 2007-03, Vol.8 (3), p.259-272

2007

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

Journal of chemical ecology, 2010-08, Vol.36 (8), p.801-813

2010

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

Journal of Raman spectroscopy, 1997-11, Vol.28 (11), p.909-916

1997

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

Biochimica et biophysica acta, 2009-08, Vol.1794 (8), p.1142-1150

2009

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

Journal of molecular structure, 1997-07, Vol.412 (1), p.59-68

1997

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

Journal of molecular structure, 1995-11, Vol.372 (1), p.53-68

1995

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006, Vol.110, p.11359-11370

2006

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Development of the force field parameters for phosphoimidazole and phosphohistidine

Journal of computational chemistry, 2004-08, Vol.25 (11), p.1313-1321

2004

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

Biochimie, 2003, Vol.85, Issues 1-2, p.65-73

2003

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

The Journal of biological chemistry, 2002-10, Vol.277 (41), p.38764-38771

2002

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

Biospectroscopy (New York, N.Y.), 1998, Vol.4 (6), p.379-393

1998

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

The Journal of biological chemistry, 2002-04, Vol.277 (14), p.12246-12252

2002

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

Journal of Raman spectroscopy, 1990-04, Vol.21 (4), p.215-226

1990

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Density functional theory and empirical derived force fields for the delocalized polaron form of polyaniline

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005-05, Vol.61 (7), p.1419-1429

2005

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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

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005, Vol.61, p.1419-1429

2005

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

Increasing Normal Modes Analysis Accuracy: The SPASIBA Spectroscopic Force Field Introduced into the CHARMM Program

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

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

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

Use of the Resonance Raman Intensities To Check the Density Functional Theory Derived Force Field of the Free Base Porphine

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

A density functional theory-derived force field for 3-ethylindole. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

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

Resonance Raman enhancement for adenine and guanine residues

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

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

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

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

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

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

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

Development of the force field parameters for phosphoimidazole and phosphohistidine

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

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

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

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

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

Density functional theory and empirical derived force fields for the delocalized polaron form of polyaniline

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

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