Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents
Bureau, Hailey R, Merz, Jr, Dale R, Hershkovits, Eli, Quirk, Stephen, Hernandez, Rigoberto
Published in PloS one (13.05.2015)
Published in PloS one (13.05.2015)
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Binding mode of Pyridoclax to myeloid cell leukemia-1 (Mcl-1) revealed by nuclear magnetic resonance spectroscopy, docking and molecular dynamics approaches
Bourafai-Aziez, A., Sebban, M., Benabderrahmane, M., Marekha, B., Denis, C., Paysant, H., Weiswald, L. B., Carlier, L., Bureau, R., Coadou, G., Ravault, D., Voisin-Chiret, A. S., Sopková-de Oliveira Santos, J., Oulyadi, H.
Published in Journal of biomolecular structure & dynamics (21.09.2020)
Published in Journal of biomolecular structure & dynamics (21.09.2020)
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Journal Article
Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics
Zhuang, Yi, Bureau, Hailey R., Lopez, Christine, Bucher, Ryan, Quirk, Stephen, Hernandez, Rigoberto
Published in Biophysical journal (18.05.2021)
Published in Biophysical journal (18.05.2021)
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Journal Article
Molecular basis of agonist docking in a human GPR103 homology model by site‐directed mutagenesis and structure–activity relationship studies
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
Published in British journal of pharmacology (01.10.2014)
Published in British journal of pharmacology (01.10.2014)
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Journal Article
Adaptive steered molecular dynamics of biomolecules
Zhuang, Yi, Bureau, Hailey R., Quirk, Stephen, Hernandez, Rigoberto
Published in Molecular simulation (24.03.2021)
Published in Molecular simulation (24.03.2021)
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Journal Article
Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields
Allen, Caley, Bureau, Hailey R., McGee, T. Dwight, Quirk, Stephen, Hernandez, Rigoberto
Published in Chemphyschem (05.09.2022)
Published in Chemphyschem (05.09.2022)
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Journal Article
Prediction of the fish acute toxicity from heterogeneous data coming from notification files
Faucon, J.C., Bureau, R., Faisant, J., Briens, F., Rault, S.
Published in Chemosphere (Oxford) (01.06.1999)
Published in Chemosphere (Oxford) (01.06.1999)
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Journal Article
New aromatase inhibitors. Synthesis and biological activity of aryl-substituted pyrrolizine and indolizine derivatives
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
Published in Bioorganic & medicinal chemistry (01.05.2000)
Published in Bioorganic & medicinal chemistry (01.05.2000)
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Journal Article
Prediction of the Daphnia acute toxicity from heterogeneous data
Faucon, J.C., Bureau, R., Faisant, J., Briens, F., Rault, S.
Published in Chemosphere (Oxford) (01.07.2001)
Published in Chemosphere (Oxford) (01.07.2001)
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Journal Article
The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context: Experiments in Quantitative Structure/Biodegradability Relationships
Cuissart, B, Touffet, F, Crémilleux, B, Bureau, R, Rault, S
Published in Journal of Chemical Information and Computer Sciences (01.09.2002)
Published in Journal of Chemical Information and Computer Sciences (01.09.2002)
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Journal Article
Design and synthesis of a new type of non steroidal human aromatase inhibitors
Sonnet, P., Guillon, J., Enguehard, C., Dallemagne, P., Bureau, R., Rault, S., Auvray, P., Moslemi, S., Sourdaine, P., Galopin, S., Séralini, G.-E.
Published in Bioorganic & medicinal chemistry letters (01.05.1998)
Published in Bioorganic & medicinal chemistry letters (01.05.1998)
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Journal Article
First tricyclic oximino derivatives as 5-HT3 ligands
BAGLIN, I, DAVEU, C, LANCELOT, J. C, BUREAU, R, DAUPHIN, F, PFEIFFER, B, RENARD, P, DELAGRANGE, P, RAULT, S
Published in Bioorganic & medicinal chemistry letters (26.02.2001)
Published in Bioorganic & medicinal chemistry letters (26.02.2001)
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Journal Article
MR 20492 and MR 20494: two indolizinone derivatives that strongly inhibit human aromatase
Auvray, P, Sourdaine, P, Moslemi, S, Séralini, G.-E, Sonnet, P, Enguehard, C, Guillon, J, Dallemagne, P, Bureau, R, Rault, S
Published in The Journal of steroid biochemistry and molecular biology (01.07.1999)
Published in The Journal of steroid biochemistry and molecular biology (01.07.1999)
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Journal Article
Study of substrate specificity of human aromatase by site directed mutagenesis
Auvray, P., Nativelle, C., Bureau, R., Dallemagne, P., Séralini, G.‐E., Sourdaine, P.
Published in European journal of biochemistry (01.03.2002)
Published in European journal of biochemistry (01.03.2002)
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Journal Article
Applicability of CoMFA in Ecotoxicology: A Critical Study on Chlorophenols
Briens, F., Bureau, R., Rault, S., Robba, M.
Published in Ecotoxicology and environmental safety (01.06.1995)
Published in Ecotoxicology and environmental safety (01.06.1995)
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Journal Article
Ecotoxicological endpoints in European notification procedure impact on the classification for the aquatic environment
Faucon, J.C., Bureau, R., Faisant, J., Briens, F., Rault, S.
Published in Chemosphere (Oxford) (01.05.1999)
Published in Chemosphere (Oxford) (01.05.1999)
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