Morphology of Calcium Oxalate Polyhydrates: A Quantum Chemical and Computational Study von Debroise, Théau, Sedzik, Thomas, Vekeman, Jelle, Su, Yangyang, Bonhomme, Christian, Tielens, Frederik

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A Hybrid Knowledge-Based and Empirical Scoring Function for Protein–Ligand Interaction: SMoG2016 von Debroise, Théau, Shakhnovich, Eugene I, Chéron, Nicolas

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One Step Further in the Elucidation of the Crystallographic Structure of Whitlockite von Debroise, Théau, Colombo, Estefania, Belletti, Gustavo, Vekeman, Jelle, Su, Yangyang, Papoular, Robert, Hwang, Nathaniel S, Bazin, Dominique, Daudon, Michel, Quaino, Paola, Tielens, Frederik

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Vibrational Signatures of Calcium Oxalate Polyhydrates von Petit, Ivan, Belletti, Gustavo D., Debroise, Théau, Llansola‐Portoles, Manuel J., Lucas, Ivan T., Leroy, César, Bonhomme, Christian, Bonhomme‐Coury, Laure, Bazin, Dominique, Daudon, Michel, Letavernier, Emmanuel, Haymann, Jean Philippe, Frochot, Vincent, Babonneau, Florence, Quaino, Paola, Tielens, Frederik

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Calcium Oxalate and Calcium Phosphate Biominerals : Formation and Stability studied by Molecular Dynamics von Debroise, Théau

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New pigments based on carminic acid and smectites: A molecular investigation von Guillermin, David, Debroise, Theau, Trigueiro, Pollyana, de Viguerie, Laurence, Rigaud, Baptiste, Morlet-Savary, Fabrice, Balme, Sébastien, Janot, Jean-Marc, Tielens, Frederik, Michot, Laurent, Lalevee, Jacques, Walter, Philippe, Jaber, Maguy

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In silico drug repositioning for COVID-19 using absolute binding free energy calculations von Debroise, Théau, Hoste, Rose, Chamayou, Quentin, Minoux, Hervé, Filoche-Rommé, Bruno, Bianciotto, Marc, Rameau, Jean-Philippe, Schio, Laurent, Levesque, Maximilien

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In silico drug repositioning for COVID-19 using absolute binding free energy calculations von Debroise, Théau, Hoste, Rose, Chamayou, Quentin, Minoux, Hervé, Filoche-Rommé, Bruno, Bianciotto, Marc, Rameau, Jean-Philippe, Schio, Laurent, Levesque, Maximilien

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