The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis von Jelsch, Christian, Ejsmont, Krzysztof, Huder, Loïc

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Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9 von Goldwaser, Elodie, Laurent, Catherine, Lagarde, Nathalie, Fabrega, Sylvie, Nay, Laure, Villoutreix, Bruno O, Jelsch, Christian, Nicot, Arnaud B, Loriot, Marie-Anne, Miteva, Maria A

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Deciphering the driving forces in crystal packing by analysis of electrostatic energies and contact enrichment ratios von Jelsch, Christian, Bibila Mayaya Bisseyou, Yvon

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Likelihood of atom-atom contacts in crystal structures of halogenated organic compounds von Jelsch, Christian, Soudani, Sarra, Ben Nasr, Cherif

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New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand von Goudiaby, Ibrahima, Malliavin, Thérèse E, Mocchetti, Eva, Mathiot, Sandrine, Acherar, Samir, Frochot, Céline, Barberi-Heyob, Muriel, Guillot, Benoît, Favier, Frédérique, Didierjean, Claude, Jelsch, Christian

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Synthesis, crystal structure, computational studies and spectroscopic characterization of a hybrid material self-assembly from tetra(isothiocyanate)cobalt(II) anion and 1-(4-methox... von Gharbi, Chaima, Fujita, Wataru, Lefebvre, Frédéric, Kaminsky, Werner, Jelsch, Christian, Nasr, Chérif Ben, Khedhiri, Lamia

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Synthesis, crystal structure, Hirshfeld surface analysis and characterization of a new Cd(II) complex with the 4,4’-dimethyl-2,2’-dipyridine monodentate ligand von Klai, Kacem, Jelsch, Christian, Wenger, Emmanuel, Lefebvre, Frederic, Nasr, Cherif Ben, Kaabi, Kamel

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The Coordination Behavior of Two New Complexes, [(C 7 H 10 NO 2 )CdCl 3 ] n (I) and [(C 7 H 9 NO 2 )CuCl 2 ] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and... von Hermi, Sabrine, Alotaibi, Abdullah A, Alswieleh, Abdullah M, Alotaibi, Khalid M, Althobaiti, M G, Jelsch, Christian, Wenger, Emmanuel, Nasr, Cherif Ben, Mrad, Mohamed Habib

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Atom interaction propensities of oxygenated chemical functions in crystal packings von Jelsch, Christian, Bibila Mayaya Bisseyou, Yvon

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Structure, Conformation and Contact Analyses of Six Aromatic Diamide Diesters von Osman, Islam Ali, McKee, Vickie, Jelsch, Christian, Gallagher, John F.

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Case of Charge-Assisted Hydrogen Bonding in the Crystal Structure of Sodium Laurate, Lauric Acid von Goudiaby, Ibrahima, Guillot, Benoît, Wenger, Emmanuel, Soudani, Sarra, Nasr, Cherif ben, Camara, Magatte, Gassama, Abdoulaye, Jelsch, Christian

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Synthesis, Structure and Hirshfeld Surface Analysis of a New Iron Complex [Fe(N4Py)(tcnspr)] (tcnspr) von Setifi, Zouaoui, Ferjani, Hela, Jelsch, Christian, Glidewell, Christopher, Dege, Necmi, Setifi, Fatima

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A new pyrimidinium tetrachloroferrate(III) salt with a low band gap: Hirshfeld surface analysis, crystal structure and physicochemical studies von Kaabi, Kamel, Lefebvre, Frédéric, Ferretti, V., Jelsch, Christian, Nasr, Cherif Ben

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Betulin Phosphonates; Synthesis, Structure, and Cytotoxic Activity von Chrobak, Elwira, Bębenek, Ewa, Kadela-Tomanek, Monika, Latocha, Małgorzata, Jelsch, Christian, Wenger, Emmanuel, Boryczka, Stanisław

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Racemic cis -bis-[bis-(pyrimidin-2-yl)amine-κ N ]bis(dicyanamido-κ N 1 )iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis von Saadallah, Yaakoub, Setifi, Zouaoui, Jelsch, Christian, Setifi, Fatima, Al-Douh, Mohammed Hadi, Satour, Achouak, Glidewell, Christopher

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On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures von Zarychta, Bartosz, Guillot, Benoît, Lecomte, Claude, Pichon-Pesme, Virginie, Jelsch, Christian

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Crystal structure, Hirshfeld surface analysis, computational and antifungal studies of dihydropyrimidines on the basis of salicylaldehyde derivatives von Huseynzada, Alakbar, Jelsch, Christian, Akhundzada, Haji Vahid, Soudani, Sarra, Nasr, Cherif Ben, Sayin, Koray, Demiralp, Mustafa, Hasanova, Ulviyya, Eyvazova, Goncha, Gakhramanova, Zarema, Abbasov, Vagif

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Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis von Zarychta, Bartosz, Lyubimov, Artem, Ahmed, Maqsood, Munshi, Parthapratim, Guillot, Benoît, Vrielink, Alice, Jelsch, Christian

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Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case von Guillot, Benoît, Jelsch, Christian, Podjarny, Alberto, Lecomte, Claude

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Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure von Milašinović, Valentina, Molčanov, Krešimir, Krawczuk, Anna, Bogdanov, Nikita E., Zakharov, Boris A., Boldyreva, Elena V., Jelsch, Christian, Kojić-Prodić, Biserka

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