Christian JELSCH

Christian JELSCH


CNRS Director of Research, PhD




telephone+33 (0)3 83 68 48 99


fax+33 (0)3 83 68 43 00


courrielchristian.jelsch@univ-lorraine.fr



recherche_icn Domaine de recherche:


  • Crystallography at Ultra High Resolution: Extension from small molecules to Macromolecules.
  • Charge Density Analysis. Development of a Database of Atomic Charges and Electron Density Parameters
  • Development of Crystallographic Software MoPro (MOlecular PROperties)
  • Methodology in Crystallography.
  • Molecular recognition, Hydrogen bonding.
  • Protein Crystallogenesis & Structural Biology


mission_icn Mission:


  • 2011- CNRS Director of Researcher at CRM2 laboratory. Nancy France
  • 1996-2011 CNRS Researcher at LCM3B Nancy France
  • 1995-96 Postdoctoral Researcher CNRS Marseille France
  • Architecture et Fonction des Macromolécules Biologiques
  • 1993-95 Postdoctoral Researcher, Yale University New Haven CT USA
  • Molecular Biology and Biochemistry Department
  • 1988-93 PhD at CNRS IBMC Laboratoire de Biologie Structurale Strasbourg France
  • 1988 Diploma Ingénieur Ecole Centrale Paris, Chemical Enginering Option.



publication_icn Publications:


Kacem Klai, Kaabi K, Kaminsky W, Jelsch C, Lefebvre F, Ben Nasr C
A Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Cd(II) complex with the 2-amino-4-methylpyrimidine ligand.
Journal of Molecular Structure 1128 (2017) 378-384 DOI link

W. Nbili, K. Kaabi, W. Ferenc, B. Cristovao, F. Lefebvre, Christian Jelsch, Cherif Ben Nasr
A Hirshfeld surface analysis, supramolecular structure and magnetic properties of a new Cu(II) complex with the 4-amino-6- methoxypyrimidine ligand
Journal of Molecular Structure 1130 (2017) 114-121 PDF Electronic reprint DOI link

El Glaoui M., El Glaoui M., Jelsch C., Aubert E., Lefebvre F., Ben Nasr C.
A Hirshfeld surface analysis, crystal structure and spectroscopic properties of new Zn(II) complex with N-aminoethylpiperazine ligand
Journal of Molecular Structure (2017) DOI link

Niranjana Devi, R., Jelsch, C., Israel, S., Aubert, E., Anzline, C., & Hosamani, A. A.
Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent
Acta Crystallographica, Section B: Structural Science 73 (2017) 1-13 DOI link

Jelsch C., Bibila Mayaya Bisseyou, Y
Atom interaction propensities of oxygenated chemical functions in crystal packings.
IUCrJ 4 (2017) 158-174 PDF Electronic reprint DOI link

Soudani, S., Jeanneau, E., Jelsch, C., Lefebvre, F., & Nasr, C. B.
Synthesis, X-ray single crystal structure, likelihood of occurrence of intermolecular contacts, spectroscopic investigation and DFT quantum chemical calculations of zwitterionic complex: 1-Ethylpiperaziniumtrichlorozincate (II).
Journal of Molecular Structure 1146 (2017) 70-79 DOI link

Molcanov, K., Jelsch, C., Wenger, E., Stare, J., Madsen, A.
Experimental evidence of 3-centre, 2-electron covalent bond character of the central OHO fragment on the Zundel cation in crystals of Zundel nitranilate tetra-hydrate.
CrystEngComm 19 (2017) 3898-3901 DOI link

Klai, K., Kaabi, K., Kaminsky, W., Jelsch, C., Lefebvre, F., & Nasr, C. B
A Hirshfeld surface analysis, synthesis, structure and characterization of a new Ni(II) diamagnetic complex with the bidentate ligand homopiperazine
Journal of Molecular Structure 1148 (2017) 412-420 DOI link

El Glaoui, M., El Glaoui, M., Soudani, S., Jelsch, C., Wenger, E., Lefebvre, F., V. Ferretti & Nasr, C. B.
Crystal and geometry-optimized structure, Hirshfeld surface analysis and spectroscopic studies of tetrachlorocuprate and nitrate salts of 1-(2-fluorophenyl)piperazine cations, (C10H15FN2)[CuCl4] (I) and (C10H14FN2)[NO3] (II)
Inorganic Chemistry 86 (2017) 118-127 DOI link

Soudani S., Ferretti V., Jelsch C., Lefebvre F., Nasr C.
. Synthesis, structural characterization,Hirshfeld surface analysis and spectroscopic studies of cadmium(II) chloride complex with 4-hydroxy-1-methylpiperidine.
Journal of Solid State Chemistry 237 (2016) 7-13 DOI link

Ahmed M., Nassour A., Noureen S., Lecomte C., Jelsch C.
Experimental and Theoretical charge density analysis of 1, 4-bis (5-hexyl-2-thienyl) butane-1,4 dione: Applications of a virtual atom model.
Acta Crystallographica, Section B: Structural Science 72 (2016) 75-86 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

S. Soudani, E. Jeanneau, C. Jelsch, F. Lefebvre, C. Ben Nasr
A Hirshfeld surface analysis, crystal structure and physicochemical studies of zwitterionic complex: 1-(2-hydroxyethyl)piperaziniumtrichlorozincate (II)
Inorganic Chemistry Communications 70 (2016) 65-70 DOI link

S. Soudani a, E. Jeanneau b, C. Jelsch c, F. Lefebvre d, C. Ben Nasr
Structural, crystal structure, Hirshfeld surface analysis and physicochemical studies of a new chlorocadmate template by 1-(2-hydroxyethyl)piperazine
Journal of Molecular Structure 1123 (2016) 66-74 PDF Electronic reprint DOI link

Elwira Chrobak, Ewa Bębenek, Monika Kadela-Tomanek, Małgorzata Latocha, Christian Jelsch, Emmanuel Wenger and Stanisław Boryczka
Betulin Phosphonates; Synthesis, Structure, and Cytotoxic Activity
Molecules 21 (2016) 1123 DOI link

Richard M., Chateau A., Jelsch C., Didierjean C., Manival X., Charron C., Maigret B., Barberi-Heyob M., Chapleur Y., Boura C., Pellegrini-Moïse N.
Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities
Bioorganic & Medicinal Chemistry 24 (2016) 5315-5325 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 PDF Electronic reprint DOI link

Jelsch C., Soudani S., Ben Nasr C.
Likelihood of atom-atom contacts in crystal structures of halogenated organic compounds.
IUCrJ 2 (2015) 327-340 DOI link

Molčanov K., Stare J., Kojić-Prodić B., Lecomte C., Dahaoui S., Jelsch C., Wenger E., Šantić A., Zarychta B.
A polar/π model of interactions explains face-to-face stacked quinoid rings: a case study in the crystal of potassium hydrogen chloranilate dihydrate
CrystEngComm (2015) DOI link

Soudani S., Ferretti V., Jelsch C., Lefebvre F., Ben Nasr C.
Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic studies of noncentrosymmetric (S)nicotiniumtrichloridozincate monohydrate complex
Inorganic Chemistry Communications 61 (2015) 187-192 DOI link

Soudani S., Mi J.-X., Lefebvre F., Jelsch C., Ben Nasr C.
Synthesis and physico-chemical studies of a novel layered structure with a heptanuclear Cd complex:(C 9 N 4 H 28) Cd 7 (H 2 O) 2 Cl 18· nH 2 O (n= 5.89)
Journal of Molecular Structure 1084 (2015) 46-54 DOI link

Nassour A., Kubicki M., Wright J., Borowiak T., Dutkiewicz G., Lecomte C., Jelsch C.
Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 70 (2014) 197-211 PDF Electronic reprint DOI link

Jelsch C., Ejsmont K., Huder L.
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis
IUCrJ 1 (2014) 119-128 DOI link

Soudani S., Aubert E., Wenger E., Jelsch C., Gautier-Luneau I., Ben Nasr C.
Poly[diaquatris(μ 6 -4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]
Acta Crystallographica Section E Structure Reports Online 70 (2014) m174-m175 DOI link

Soudani S, Zeller M., Wenger E., Jelsch C., Lefebvre F., Ben Nasr C.
Pseudo-symmetry, rotation- and inversion-twinning of a structure with dinuclear and trinuclear Cd complexes. CP-MAS-NMR and IR spectroscopies characterization.
Journal of Molecular Structure 1075 (2014) 442-449

Soudani S., Wenger E., Jelsch C., Ben Nasr C.
Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate
Acta Crystallographica Section E Structure Reports Online 70 (2014) o747-o748 DOI link

Soudani S., Aubert E., Jelsch C., Ben Nasr C.
Crystal structure of 2-amino-5-methyl-sulfanyl-1,3,4-thia-diazol-3-ium chloride monohydrate.
Acta Crystallographica, Section E: Structure Reports 70 (2014) 913-914 DOI link

Soudani S., Kefi R., Jelsch C., Wenger E., Ben Nasr C.
o-Phenylenediaminium chloride nitrate
Acta Crystallographica, Section E: Structure Reports online E69 (2013) o600 DOI link

Soudani S., Aubert E., Jelsch C., Ben Nasr C.
The organic-inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate
Acta Crystallographica, Section C: Crystal Structure Communications C69 (2013) 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 PDF 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 PDF 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 PDF Electronic reprint DOI link

Brezgunova M., Aubert E., Dahaoui S., Fertey P., Lebègue S., Jelsch C., Ángyán J., Espinosa E.
"Charge Density Analysis and Topological Properties of Hal3-Synthons and Their Comparison with Competing Hydrogen Bonds" Crystal Growth and Design
12 (2012) 5373-5386 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 PDF 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 PDF 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 PDF 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 PDF Electronic reprint DOI link

Zarychta B., Zaleski J., Kyzioł J., Daszkiewicz Z., Jelsch C.
Charge-density analysis of 1-nitroindoline: refinement quality using freeRfactors and restraints
Acta Crystallographica, Section B: Structural Science 67 (2011) 250-262 PDF 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 PDF Electronic reprint DOI link

Chambrier M.-H., Bouhmaida N., Bonhomme F., Lebègue S., Gillet J.-M., Jelsch C., Ghermani N.
Electron and Electrostatic Properties of Three Crystal Forms of Piracetam
Crystal Growth & Design 11 (2011) 2528-2539 PDF Electronic reprint DOI link

Bąk J., Domagała S., Hübschle C., Jelsch C., Dittrich B., Dominiak P.
Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases
Acta Crystallographica, Section A: Foundations of Crystallography 67 (2011) 141-153 PDF Electronic reprint DOI link

Aubert E., Lebègue S., Marsman M., Bui T., Jelsch C., Dahaoui S., Espinosa E., Ángyán J.
Periodic projector augmented wave density functional calculations on the hexachlorobenzene crystal and comparison with the experimental multipolar charge density model
Journal of Physical Chemistry A 115 (2011) 14484-14494 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

Paul A., Kubicki M., Jelsch C., Durand P., Lecomte C.
R-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with Z' = 2.
Acta Crystallographica, Section B: Structural Science 67 (2011) 365-378 PDF Electronic reprint DOI link

Paul A., Kubicki M., Kubas A., Jelsch C., Fink K., Lecomte C.
Charge Density Analysis of 2-Methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: An Experimental and Theoretical Study of C≡N···C≡N Interactions.
Journal of Physical Chemistry A 115 (2011) 12941-12952 PDF Electronic reprint 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 PDF Electronic reprint DOI link

Ejsmont K., Boeglin J, Didierjean C., Guichard G. & Jelsch C.
5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate refined using a multipolar atom model.
Acta Crystallographica, Section C: Crystal Structure Communications 66 (2010) o292-o294

Munshi P, Jelsch C*, Hathwar VR, Row TNG
Experimental and theoretical charge density analysis of polymorphic structures: case of coumarin 314 dye.
10 (2010) 1516-1526 PDF 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 PDF Electronic reprint

Sławomir Domagała and Christian Jelsch
Optimal local axes and symmetry assignment for charge-density refinement
Journal of Applied Crystallography 41 (2008) 1140-1149 PDF 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 PDF Electronic reprint

EJSMONT K., JOLY J.P., WENGER E. and JELSCH C.
The crystal structure of (2S,3S)-2-N, N-dibenzylaminobutane-1,3-diol refined using a multipolar atom model
Acta Crystallographica, Section C: Crystal Structure Communications C63 (2007) 0-0

BENDEIF E.-E and JELSCH C.
The experimental library multipolar atom model refinement of L-aspartic acid
Acta Crystallographica, Section C: Crystal Structure Communications C63 (2007) o361-o364 PDF Electronic reprint

K. Ejsmont, J.-P. Joly, E. Wenger and C. Jelsch
2S,3S)-2-(N,N-Dibenzylamino)butane-1,3-diol refined using a multipolar atom model
Acta Crystallographica, Section C: Crystal Structure Communications C64 (2007) o18-o20 PDF 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 PDF 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 PDF 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

LIU Q., MAIKUN TENG Q.H., WEEKS C.M., JELSCH C., ZHANG R. and NIU L.
The crystal structure of a novel, inactive, lysine 49 PLA2 from Agkistrodon acutus Venom: an ultrahigh resolution, ab initio structure determination
Journal of Biological Chemistry 278 (2003) 41400-41408

SCHMIDT A, JELSCH C., OSTERGAARD P., RYPNIEWSKI W. and LAMZIN VS.
Trypsin Revisited: crystallography at (sub) atomic resolution and quantum chemistry revealing details of catalysis
Journal of Biological Chemistry 278 (2003) 43357-43362

JELSCH C.
Structure des protéines par diffraction des rayons X et application aux problèmes d\'allergie alimentaire
Alim\'Inter 8 (2003) 129-133

KUBICKI M., BOROWIAC T., DUTKIEWICZ G., SOUHASSOU M., JELSCH C. & LECOMTE C.
Experimental electron density of 1-phenyl-4-nitroimidazole and topological analysis of C-H...O and C-H...N hydrogen bonds
Journal of Physical Chemistry 106 (2002) 3706-3714

TALEB M., DIDIERJEAN C., JELSCH C., MANGEOT J.P. & AUBRY A.
Equilibrium kinetics of lysozyme crystallization under an external electric field
Journal of Crystal Growth 232 (2001) 250-255

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 PDF 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 PDF Electronic reprint

JELSCH C.
Sparsity of the normal matrix in the refinement of proteins at atomic and subatomic resolution
Acta Crystallographica, Section A: Foundations of Crystallography A57 (2001) 558-570 PDF 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 PDF Electronic reprint

HOUSSET D., BENABICHA F., PICHON PESME V., JELSCH C., MAIERHOFER A., DAVID S., FONTECILLA CAMPS J. C. & LECOMTE C.
Towards the charge density study of proteins : a room temperature scorpion toxin structure at 0.96 Å resolution as a first test case
Acta Crystallographica, Section D: Biological Crystallography D56 (2000) 151-160 PDF Electronic reprint

JELSCH C., TEETER M.M., LAMZIN V., PICHON PESME V., BLESSING R.H. & LECOMTE C.
Accurate protein crystallography at ultra-high resolution: valence electron distribution in crambin
Proceedings of the National Academy of Sciences 97 (2000) 3171-3176

BENABICHA F., PICHON PESME V., JELSCH C., LECOMTE C. & KHMOU A.
Experimental charge density and electrostatic potential of Glycyl-L-threonine dihydrate
Acta Crystallographica, Section B: Structural Science B56 (2000) 155-165

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 PDF Electronic reprint

FERNANDEZ SERRA M.V., JUNQUERA J., JELSCH C., LECOMTE C. & ARTACHO E.
Electron density in the peptide bonds of crambin
Solid State Communications 116 (2000) 395-400