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 TitleAuthors / EditorsDate
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Intermediates of chromosomal DNA replication in Escherichia coli Raggenbass, Mario; Caro, L. 1982
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Percutaneous penetration of drugs: a quantitative structure-permeability relationship study el Tayar, Nabil; Tsai, Ruey-Shiuan; Testa, Bernard; Carrupt, Pierre-Alain; ... Leo, A. 1991
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Partitioning of solutes in different solvent systems: the contribution of hydrogen-bonding capacity and polarity el Tayar, Nabil; Tsai, Ruey-Shiuan; Testa, Bernard; Carrupt, Pierre-Alain; Leo, A. 1991
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Mechanism of ligand binding to alpha 1-acid glycoprotein (orosomucoid): correlated thermodynamic factors and molecular parameters of polarity Urien, S.; Giroud, Y.; Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; ... Tillement, J. P. 1995
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New trends in polarity. III, Dipolar hydrogen bondings as homotemplate forces for pregenetical evolution Turian, Gilbert 1995
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Insight into the lipophilicity of the aromatic N-oxide moiety Caron, Giulia; Carrupt, Pierre-Alain; Testa, Bernard; Ermondi, Giuseppe; Gasco, Alberto 1996
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Molecular properties and pharmacokinetic behavior of cetirizine, a zwitterionic H1-receptor antagonist Pagliara, Alessandra; Testa, Bernard; Carrupt, Pierre-Alain; Jolliet, Philippe; ... Rihoux, J. P. 1998
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Gilmarite, Cu3 (AsO4) (OH)3, a new mineral: its description and crystal structure Sarp, Halil; Cerny, Radovan 1999
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Similar coordination - Different dimensionality: synthesis, single crystal structures and theoretical studies of {[Ca(H2O)2L4]I2}n/inf (1: L=CH3COOC2H5, n = 1; 2: L=OC4H8, n = 2) Fromm, Katharina M.; Bernardinelli, Gérald Hugues; Mayor-López, Maria José; Weber, Jacques; Goesmann, Helmut 2000
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Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations Rey, S.; Caron, Giulia; Ermondi, Giuseppe; Gaillard, Patrick; ... Testa, Bernard 2001
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Structural basis for recognition of the intron branch site RNA by splicing factor 1 Liu, Z; Luyten, I; Bottomley, M J; Messias, A C; ... Sattler, M 2001
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The Hydrogen-Bond: computational approaches and applications to drug design Rey, S.; Carrupt, Pierre-Alain; Testa, Bernard 2002
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Imidazole H3-antagonists: relationship between structure and ex vivo binding to rat brain H3-receptors Vacondio, F.; Mor, M.; Silva, C.; Zuliani, V.; ... Testa, Bernard 2004
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Calcio-andyrobertsite-2O, KCaCu5(AsO4)4[AsO2(OH)2]·2H2O: its description, crystal structure and relation with calcio-andyrobertsite-1M Sarp, Halil; Cerny, Radovan 2004
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Yazganite, NaFe3+2(Mg,Mn)(AsO4)3·H2O, a new mineral: its description and crystal structure Sarp, Halil; Cerny, Radovan 2005
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Structure of the eukaryotic thiamine pyrophosphate riboswitch with its regulatory ligand Thore, Stéphane; Leibundgut, Marc; Ban, Nenad 2006
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Hohenberg-Kohn-Sham density functional theory Wesolowski, Tomasz Adam 2007
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Breast cancer resistance protein (BCRP/ABCG2): new inhibitors and QSAR studies by a 3D linear solvation energy approach Nicolle, Edwige; Boccard, Julien; Guilet, David; Dijoux-Franca, Marie-Geneviève; ... Boumendjel, Ahcène 2009
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A 3D linear solvation energy model to quantify the affinity of flavonoid derivatives toward P-glycoprotein Boccard, Julien; Bajot, Fania; Di Pietro, Attilio; Rudaz, Serge; ... Carrupt, Pierre-Alain 2009
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Ground-State Electronic Structure of Vanadium(III) Trisoxalate in Hydrated Compounds Kittilstved, Kevin Richard; Sorgho, Lilit Aboshyan; Amstutz, Nahid; Tregenna-Piggott, Philip L.W.; Hauser, Andreas 2009
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Functional implications from the Cid1 poly(U) polymerase crystal structure Munoz Tello, Paola Andréa; Gabus, Caroline; Thore, Stéphane 2012
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First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order Prager, Stefan; Zech, Alexander; Aquilante, Francesco; Dreuw, Andreas; Wesolowski, Tomasz Adam 2016