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Benoît GuillotProfesseur des Universités
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Domaine de recherche:
- Méthodes en cristallographie : modélisation de la densité électronique à résolution atomique et subatomique dans les systèmes biologiques macromoléculaires.
- Applications à la caractérisation des interactions chimiques dans les systèmes macromoléculaires
- Développement du logiciel MoProViewer (visualisation moléculaire et représentation de propriétés dérivées de la distribution de charge).
Enseignement
- Masters physique et MCN
- Licence Sciences de la Vie et Sciences de la Matière.
Publications:
Jelsch, C., Devi, R. N., Noll, B. C., Guillot, B., Samuel, I., & Aubert, E.
Aceclofenac and interactions analysis in the crystal and COX protein active site.
Journal of Molecular Structure (2020) DOI link
Maza S., Kijatkin C., Bouhidel Z., Pillet S., Schaniel D., Imlau M., Guillot B., Cherouana A., Bendeif E.-E.
Synthesis, structural investigation and NLO properties of three 1,2,4-triazole Schiff bases
Journal of Molecular Structure (2020) 128492 DOI link
Mandal S., Guillot B., Munshi P.
Electron density based analysis of N–H⋯O=C hydrogen bonds and electrostatic interaction energies in high-resolution secondary protein structures: insights from quantum crystallographic approaches
CrystEngComm 22 (2020) 4363-4373 DOI link
Leduc T., Aubert E., Espinosa E., Jelsch C., Iordache C., Guillot B.
Polarization of Electron Density Databases of Transferable Multipolar Atoms
The Journal of Physical Chemistry A 123 (2019) 7156-7170 DOI link
Gallagher J., Farrell M., Hehir N., Mocilac P., Aubert E., Espinosa E., Guillot B., Jelsch C.
At the Interface of Isomorphous Behavior in a 3 × 3 Isomer Grid of Monochlorobenzamides: Analyses of the Interaction Landscapes via Contact Enrichment Studies
Crystal Growth & Design 19 (2019) 6141-6158 DOI link
Varela S., Montañes B., López F., Berche B., Guillot B., Mujica V., Medina E.
Intrinsic Rashba coupling due to hydrogen bonding in DNA
The Journal of Chemical Physics 151 (2019) 125102 DOI link
Meyer B., Barthel S., Mace A., Vannay L., Guillot B., Smit B., Corminboeuf C.
DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
The Journal of Physical Chemistry Letters 10 (2019) 1482-1488 DOI link
Fournier B., Guillot B., Lecomte C., Escudero-Adán E., Jelsch C.
A method to estimate statistical errors of properties derived from charge-density modelling
Acta Crystallographica, Section A: Foundations of Crystallography 74 (2018) 170-183 DOI link
Bouhidel Z., Cherouana A., Durand P., Doudouh A., Morini F., Guillot B., Dahaoui S.
Synthesis, spectroscopic characterization, crystal structure, Hirshfeld surface analysis and antimicrobial activities of two triazole Schiff bases and their silver complexes
Inorganica Chimica Acta 482 (2018) DOI link
Nassour A., Domagala S., Guillot B., Leduc T., Lecomte C., Jelsch C.
A theoretical-electron-density databank using a model of real and virtual spherical atoms
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73 (2017) 610-625 DOI link
Meyer B., Guillot B., Ruiz-Lopez M., Genoni A.
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability
Journal of Chemical Theory and Computation 12 (2016) 1052-1067 DOI link
Howard E., Guillot B., Blakeley M., Haertlein M., Moulin M., Mitschler A., Cousido-Siah A., Fadel F., Valsecchi W., Tomizaki T., Petrova T., Claudot J., Podjarny A.
High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP–oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution
IUCrJ 3 (2016) 115-126 DOI link
Nespolo M., Guillot B.
CHARDI2015: Charge Distribution analysis of non-molecular structures
Journal of Applied Crystallography 49 (2016) 317-321

Meyer B., Guillot B., Ruiz-Lopez M., Jelsch C., Genoni A.
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Journal of Chemical Theory and Computation (2016) DOI link
Zarychta B., Lyubimov A., Ahmed M., Munshi P., Guillot B., Vrielink A., Jelsch C.
Cholesterol oxidase: ultra high resolution crystal structure and multipolar atom model based analysis.
Acta Crystallographica, Section D: Biological Crystallography 71 (2015) 954-968

Ruamps R., Maurice R., Batchelor L., Boggio-Pasqua M., Guillot R., Barra A., Liu J., Bendeif E.-E., Pillet S., Hill S., Mallah T., Guihéry N.
Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory
Journal of the American Chemical Society 135 (2013) 3017-3026 DOI link
Ahmed M., Jelsch C., Guillot B., Lecomte C., Domagała S.
Relationship between Stereochemistry and Charge Density in Hydrogen Bonds with Oxygen Acceptors
Crystal Growth & Design 13 (2013) 315-325

Ahmed M., Yar M., Nassour A., Guillot B., Lecomte C., Jelsch C.
Experimental and Theoretical Charge Density Analysis of a Bromoethyl Sulfonium Salt
The Journal of Physical Chemistry A 117 (2013) 14267-14275

Elias M., Liebschner D., Koepke J., Lecomte C., Guillot B., Jelsch C., Chabriere E.
Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase
BMC Research Notes 6 (2013) 308

Bibila Mayaya Bisseyou Y., Bouhmaida N., Guillot B., Lecomte C., Lugan N., Ghermani N., Jelsch C.
Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye
Acta Crystallographica, Section B: Structural Science B68 (2012) 646-660

Poulain-Paul A., Nassour A., Jelsch C., Guillot B., Kubicki M., Lecomte C.
A critical analysis of dipole-moment calculations as obtained from experimental and theoretical structure factors
Acta Crystallographica, Section A: Foundations of Crystallography 68 (2012) 715-728

Dadda N., Nassour A., Guillot B., Benali-Cherif N., Jelsch C.
Charge-density analysis and electrostatic properties of 2-carboxy-4-methylanilinium chloride monohydrate obtained using a multipolar and a spherical-charges model
Acta Crystallographica, Section A: Foundations of Crystallography 68 (2012) 452-463

Domagała S., Fournier B., Liebschner D., Guillot B., Jelsch C.
An improved experimental databank of transferable multipolar atom models - ELMAM2. Construction details and applications.
Acta Crystallographica, Section A: Foundations of Crystallography 68 (2012) 337-351

Domagała S., Munshi P., Ahmed M., Guillot B., Jelsch C.
Structural analysis and multipole modelling of quercetin monohydrate – a quantitative and comparative study
Acta Crystallographica, Section B: Structural Science 67 (2011) 63-78

Liebschner D., Jelsch C., Espinosa E., Lecomte C., Chabrière E., Guillot B.
Topological Analysis of Hydrogen Bonds and Weak Interactions in Protein Helices via Transferred Experimental Charge Density Parameters
Journal of Physical Chemistry A 115 (2011) 12895-12904 DOI link
Ahmed M., Noureen S., Gros P., Guillot B., Jelsch C.
2,2'-(Ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100 K refined using a multipolar atom model.
Acta Crystallographica, Section C: Crystal Structure Communications 67 (2011) o329-o333 DOI link
Fukin G., Baranov E., Jelsch C., Guillot B., Poddel’sky A., Cherkasov V., Abakumov G.
Experimental and Theoretical Investigation of Topological and Energetic Characteristics of Sb Complexes Reversibly Binding Molecular Oxygen.
Journal of Physical Chemistry A 115 (2011) 8271-8281

N. Bouhmaida, F. Bonhomme, B. Guillot, C. Jelsch & N. E. Ghermani
Charge density and electrostatic potential analyses in paracetamol
Acta Crystallographica, Section B: Structural Science 65 (2009) 363-374
Krzysztof Ejsmont, Jean-Pierre Joly, Emmanuel Wenger, Benoit Guillot & Christian Jelsch
4-Benzoyl-3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile: refinement using a multipolar atom model
Acta Crystallographica, Section C: Crystal Structure Communications 65 (2009) 342-344
FOURNIER B., BENDEIF E.-E., GUILLOT B., PODJARNY A., LECOMTE C and JELSCH C.
Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase
Journal of the American Chemical Society 131 (2009) 10929-10941 DOI link
Liebschner, D., Elias, M., Moniot, S., Fournier, B., Scott, K., Jelsch, C., Guillot, B., Lecomte, C., Chabrière, E.
Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by Subangstrom X-ray Crystallography
Journal of the American Chemical Society 131 (2009) 7879-7886 DOI link
Guillot, B., Jelsch, C., Podjarny, A. & Lecomte, C.
Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case Acta Cryst.
Acta Crystallographica, Section D: Biological Crystallography 64 (2008) 567-588

ZARYCHTA B., PICHON PESME V., GUILLOT B., LECOMTE C., JELSCH C.
On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures
Acta Crystallographica, Section A: Foundations of Crystallography 63 (2007) 108-125

LECOMTE C., GUILLOT B.. JELSCH C., PODJARNY A.
Frontier example in experimental charge density research: experimental electrostatics of proteins
International Journal of Quantum Chemistry 101 (2005) 624-634
LECOMTE C., AUBERT E., LEGRAND V., PORCHER F., PILLET S., GUILLOT B., JELSCH C.
Charge density research: from inorganic and molecular materials to proteins
Zeitschrift fuer Kristallographie (2005) 373-384

JELSCH C., GUILLOT B., LAGOUTTE A., LECOMTE, C.
Advances in Proteins and Small Molecules. Charge Density Refinement Methods using software MoPro
Journal of Applied Crystallography 38 (2005) 38-54

GUILLOT, R., FERTEY P., HANSEN H.K., ALLÉ P., ELKAIM E., LECOMTE C.
Diffraction study of the piezoelectric properties of low quartz
The European Physical Journal B 42(3) (2004) 373-380
HANSEN N. K., FERTEY P., GUILLOT R.
Studies of electric field induced structural and electron density modifications by X-ray diffraction
Acta Crystallographica, Section A: Foundations of Crystallography A60 (2004) 465-471

LECOMTE C, GUILLOT B, MUZET N, PICHON PESME V, JELSCH C.
Ultra-high-resolution X-ray structure of proteins
Cellular and Molecular Life Sciences 61 (2004) 774-782
PICHON PESME V., JELSCH C., GUILLOT B., LECOMTE C.,
A comparison between experimental and theoretical aspherical atom scattering factors for large molecules charge density refinement
Acta Crystallographica, Section A: Foundations of Crystallography A60 (2004) 204-208
GUILLOT B., MUZET N., ARTACHO B., LECOMTE C. & JELSCH C.
Experimental and theoretical electron density studies in large molecules: NAD+, -Nicotinamide adenine dinucleotide
Journal of Physical Chemistry 107 (2003) 9109-9121
GUILLOT R., ALLE P., FERTEY P., HANSEN N. & EL KAIM E.
Diffraction measurements from crystals under electric fields : Instrumentation
Journal of Applied Crystallography 35 (2002) 360-363
GUILLOT R., MUZET N., DAHAOUI S., LECOMTE C. & JELSCH C.
Experimental and theoretical charge density of DL-alanyl- methionine
Acta Crystallographica, Section B: Structural Science B57 (2001) 567-578

GUILLOT B., VIRY L., GUILLOT R., LECOMTE C. & JELSCH C.
Refinement of proteins at subatomic resolution with MOPRO
Journal of Applied Crystallography 34 (2001) 214-223

GUILLOT B., LECOMTE C., GUILLOT R., COUSSON A.,SCHERF C. & JELSCH C.
High resolution neutron structure of nicotinamide adenine dinuclotide
Acta Crystallographica, Section D: Biological Crystallography D57 (2001) 981-989

GUILLOT B., JELSCH C. & LECOMTE C.
Crystal structure of the oxydized form of nicotinamide adenine dinucleotide
Acta Crystallographica, Section C: Crystal Structure Communications C56 (2000) 726-728
