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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint DOI link

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint

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 Electronic reprint