Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents von Bureau, Hailey R, Merz, Jr, Dale R, Hershkovits, Eli, Quirk, Stephen, Hernandez, Rigoberto

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Determining the Energetics of Small β‑Sheet Peptides using Adaptive Steered Molecular Dynamics von Bureau, Hailey R, Hershkovits, Eli, Quirk, Stephen, Hernandez, Rigoberto

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Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics von Zhuang, Yi, Bureau, Hailey R., Lopez, Christine, Bucher, Ryan, Quirk, Stephen, Hernandez, Rigoberto

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The relative stability of trpzip1 and its mutants determined by computation and experiment von Bureau, Hailey R, Quirk, Stephen, Hernandez, Rigoberto

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Tertiary Plasticity Drives the Efficiency of Enterocin 7B Interactions with Lipid Membranes von Zhuang, Yi, Quirk, Stephen, Stover, Erica R., Bureau, Hailey R., Allen, Caley R., Hernandez, Rigoberto

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Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields von Allen, Caley, Bureau, Hailey R., McGee, T. Dwight, Quirk, Stephen, Hernandez, Rigoberto

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Molecular basis of agonist docking in a human GPR103 homology model by site‐directed mutagenesis and structure–activity relationship studies von Neveu, C, Dulin, F, Lefranc, B, Galas, L, Calbrix, C, Bureau, R, Rault, S, Chuquet, J, Boutin, J A, Guilhaudis, L, Ségalas‐Milazzo, I, Vaudry, D, Vaudry, H, Santos, J Sopkova‐de Oliveira, Leprince, J

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New aromatase inhibitors. Synthesis and biological activity of aryl-substituted pyrrolizine and indolizine derivatives von SONNET, P, DALLEMAGNE, P, SOURDAINE, P, SERALINI, G.-E, GUILLON, J, ENGUEHARD, C, STIEBING, S, TANGUY, A. J, BUREAU, A. R, RAULT, A. S, AUVRAY, A. P, MOSLEMI, S

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Synthesis of 3,3-Diarylazetidines by calcium(II)-catalyzed Friedel–Crafts reaction of Azetidinols with unexpected Cbz enhanced reactivity von Denis, C, Dubois, M, Voisin-Chiret, AS, Bureau, R, Choi, C, Mousseau, J, Bull, J

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Study of substrate specificity of human aromatase by site directed mutagenesis von Auvray, P., Nativelle, C., Bureau, R., Dallemagne, P., Séralini, G.‐E., Sourdaine, P.

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Prediction of the Daphnia acute toxicity from heterogeneous data von Faucon, J.C., Bureau, R., Faisant, J., Briens, F., Rault, S.

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Prediction of the fish acute toxicity from heterogeneous data coming from notification files von Faucon, J.C., Bureau, R., Faisant, J., Briens, F., Rault, S.

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Applicability of CATALYST in Ecotoxicology, a New Promising Tool for 3D-QSAR: Study of Chlorophenols von Briens, F., Bureau, R., Rault, S.

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Clustering files of chemical structures using the Székely–Rizzo generalization of Ward's method von Varin, Thibault, Bureau, Ronan, Mueller, Christoph, Willett, Peter

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The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context:  Experiments in Quantitative Structure/Biodegradability Relationships von Cuissart, B, Touffet, F, Crémilleux, B, Bureau, R, Rault, S

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Catalytic Friedel-crafts reactions on saturated heterocycles and small rings for sp³-sp² coupling of medicinally relevant fragments von Croft, RA, Dubois, M, Boddy, A, Denis, C, Lazaridou, A, Voisin, AS, Bureau, R, Choi, C, Mousseau, J, Bull, J

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Molecular basis of agonist docking in a human GPR 103 homology model by site‐directed mutagenesis and structure–activity relationship studies von Neveu, C, Dulin, F, Lefranc, B, Galas, L, Calbrix, C, Bureau, R, Rault, S, Chuquet, J, Boutin, J A, Guilhaudis, L, Ségalas‐Milazzo, I, Vaudry, D, Vaudry, H, Santos, J Sopkova‐de Oliveira, Leprince, J

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Design and synthesis of a new type of non steroidal human aromatase inhibitors von Sonnet, P., Guillon, J., Enguehard, C., Dallemagne, P., Bureau, R., Rault, S., Auvray, P., Moslemi, S., Sourdaine, P., Galopin, S., Séralini, G.-E.

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Determining the Energetics of Small [beta]-Sheet Peptides using Adaptive Steered Molecular Dynamics von Bureau, Hailey R, Hershkovits, Eli, Quirk, Stephen, Hernandez, Rigoberto

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First tricyclic oximino derivatives as 5-HT3 ligands von BAGLIN, I, DAVEU, C, LANCELOT, J. C, BUREAU, R, DAUPHIN, F, PFEIFFER, B, RENARD, P, DELAGRANGE, P, RAULT, S

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