Monard, Gérald
![Sudoc [ABES], France](/viaf/images/flags/SUDOC.png "Sudoc [ABES], France")
Gérald Monard researcher
VIAF ID: 190793615 ( Personal )
Permalink: http://viaf.org/viaf/190793615
Preferred Forms
-
100 0 _
‡a
Gérald Monard
‡c
researcher
-
100 1 _
‡a
Monard, Gérald
-
100 1 _
‡a
Monard, Gérald
4xx's: Alternate Name Forms (1)
Works
| Title | Sources |
|---|---|
| Approches numériques pour évaluer les propriétés de liaison de ligands : le cas du récepteur NMDA |
|
| Computational approaches to assess the binding properties of ligands : the case of the NMDA receptor. |
|
| Computer simulation of reactions in beta-cyclodextrin molecular reactors: transition state recognition |
|
| Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms. |
|
| Digitizing Poly-L-lysine Dendrigrafts: From Experimental Data to Molecular Dynamics Simulations |
|
| Etude théorique de la réactivité chimique : des nano-objets au suivi de l'entropie par métadynamique |
|
| Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme |
|
| Importance of Polarization and Charge Transfer Effects to Model the Infrared Spectra of Peptides in Solution |
|
| Intrinsic reactivity of uric acid with dioxygen: Towards the elucidation of the catalytic mechanism of urate oxidase. |
|
| Investigation of the deamidation reaction in the enzyme triosephosphate isomerase by means of computational chemistry tools. |
|
| L'utilisation de l'intelligence de artificielle dans la découverte de nouveaux candidats-médicaments et dans l'imagerie médicale |
|
| Modélisation de la reconnaissance et de la catalyse enzymatiques : Développements méthodologiques et détermination du mécanisme des Métionine Sulfoxyde Réductases de classe A |
|
| Modélisation moléculaire de la réactivité de GABA-AT : de petits modèles représentatifs à la protéine complète, de la mécanique moléculaire à la chimie quantique, du statique au dynamique |
|
| Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes. |
|
| Molecular dynamics using a semiempirical quantum force field : development and applications to systems of biological interest. |
|
| Molecular modeling of Bcl-xL post-translational modifications and of keteniminium salts. |
|
| Molecular modeling study of multienzymatic systems involved in flavonoid biosynthesis. |
|
| Molecular modelling of GABA-AT reactivity : from small representative models to the full protein, from molecular mechanics to quantum chemistry, from static to dynamics. |
|
| Origins of the deamidation in peptides and TPI |
|
| Oxygen Pressurized X-Ray Crystallography: Probing the Dioxygen Binding Site in Cofactorless Urate Oxidase and Implications for Its Catalytic Mechanism |
|
| Pathways for protonation and reactivity of metalloenzyme : application to superoxide reductase. |
|
| Peptide binding to β-cyclodextrins: structure, dynamics, energetics, and electronic effects |
|
| Rationalization of the pKa Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid pKa’s |
|
| Reaction mechanism of deamidation of asparaginyl residues in peptides: effect of solvent molecules. |
|
| Réalisation d'un champ de forces hybride classique/quantique : développement, validation et application à la réactivité enzymatique |
|
| Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package |
|
| Simulation of liquid water using semiempirical Hamiltonians and the divide and conquer approach |
|
| Study of photophysical properties of fluorescent proteins by molecular dynamics. |
|
| Theoretical study of chemical reactivity : from nano-objects to follow the entropy via metadynamics simulations. |
|
| Theoretical study of the reduction mechanism of sulfoxides by thiols |
|
| Vers l'élucidation du mécanisme de déamidation des résidus asparaginyles dans les peptides et les protéines |
|
| Vibrational Energy Relaxation of the Amide I Mode of N-Methylacetamide in D2O Studied through Born–Oppenheimer Molecular Dynamics |
|
| Water interactions with hydrophobic groups: assessment and recalibration of semiempirical molecular orbital methods. |
|
| Why Does Asn71 Deamidate Faster Than Asn15 in the Enzyme Triosephosphate Isomerase? Answers from Microsecond Molecular Dynamics Simulation and QM/MM Free Energy Calculations |
|
| X-ray, ESR, and quantum mechanics studies unravel a spin well in the cofactor-less urate oxidase |
|
