Hierarchical Graph Representation of Pharmacophore Models
Arthur, Garon, Oliver, Wieder, Klaus, Bareis, Thomas, Seidel, Gökhan, Ibis, Sharon, Bryant, Isabelle, Theret, Pierre, Ducrot, Thierry, Langer
Published in Frontiers in molecular biosciences (14.12.2020)
Published in Frontiers in molecular biosciences (14.12.2020)
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Journal Article
FastGrow: on-the-fly growing and its application to DYRK1A
Penner, Patrick, Martiny, Virginie, Bellmann, Louis, Flachsenberg, Florian, Gastreich, Marcus, Theret, Isabelle, Meyer, Christophe, Rarey, Matthias
Published in Journal of computer-aided molecular design (01.09.2022)
Published in Journal of computer-aided molecular design (01.09.2022)
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Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein–Ligand Residence Times
Mollica, Luca, Theret, Isabelle, Antoine, Mathias, Perron-Sierra, Françoise, Charton, Yves, Fourquez, Jean-Marie, Wierzbicki, Michel, Boutin, Jean A, Ferry, Gilles, Decherchi, Sergio, Bottegoni, Giovanni, Ducrot, Pierre, Cavalli, Andrea
Published in Journal of medicinal chemistry (11.08.2016)
Published in Journal of medicinal chemistry (11.08.2016)
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Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR
Westermaier, Yvonne, Ruiz-Carmona, Sergio, Theret, Isabelle, Perron-Sierra, Françoise, Poissonnet, Guillaume, Dacquet, Catherine, Boutin, Jean A., Ducrot, Pierre, Barril, Xavier
Published in Journal of computer-aided molecular design (01.08.2017)
Published in Journal of computer-aided molecular design (01.08.2017)
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Structure–Activity Relationship of Azaindole-Based Glucokinase Activators
Paczal, Attila, Bálint, Balázs, Wéber, Csaba, Szabó, Zoltán B, Ondi, Levente, Theret, Isabelle, De Ceuninck, Frédéric, Bernard, Catherine, Ktorza, Alain, Perron-Sierra, Francoise, Kotschy, András
Published in Journal of medicinal chemistry (28.01.2016)
Published in Journal of medicinal chemistry (28.01.2016)
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Journal Article
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERB[alpha]/NCoR
Westermaier, Yvonne, Ruiz-carmona, Sergio, Theret, Isabelle, Perron-sierra, Françoise, Poissonnet, Guillaume, Dacquet, Catherine, Boutin, Jean A, Ducrot, Pierre, Barril, Xavier
Published in Journal of computer-aided molecular design (01.08.2017)
Published in Journal of computer-aided molecular design (01.08.2017)
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신규한 매크로사이클릭 화합물, 이들의 제조 방법 및 이들을 함유하는 약학적 조성물
GYURIS MARIO, MADARASZ ZOLTAN, NYERGES MIKLOS, BERGER SYLVIE, KISS ARPAD, RUDASOVA MONIKA, SEEDORF KLAUS, SAPI ATTILA, THERET ISABELLE, VINSON CEDRIC, MOLNAR MARK, DURAND DIDIER, MARTINY VIRGINIE, WEBER CSABA, DUVIVIER VALERIE
Year of Publication 07.11.2022
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Year of Publication 07.11.2022
Patent
Towards a complete structure of the hERG channel
Schmidtke, Peter, Marine, Ciantar, Theret, Isabelle, Ducrot, Pierre
Published in Journal of cheminformatics (22.03.2013)
Published in Journal of cheminformatics (22.03.2013)
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Journal Article
2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine
Hamon, Véronique, Bourgeas, Raphael, Ducrot, Pierre, Theret, Isabelle, Xuereb, Laura, Basse, Marie Jeanne, Brunel, Jean Michel, Combes, Sebastien, Morelli, Xavier, Roche, Philippe
Published in Journal of the Royal Society interface (06.01.2014)
Published in Journal of the Royal Society interface (06.01.2014)
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Journal Article
2P2IHUNTER: a tool for filtering orthosteric protein–protein interaction modulators via a dedicated support vector machine
Hamon, Véronique, Bourgeas, Raphael, Ducrot, Pierre, Theret, Isabelle, Xuereb, Laura, Basse, Marie Jeanne, Brunel, Jean Michel, Combes, Sebastien, Morelli, Xavier, Roche, Philippe
Published in Journal of the Royal Society interface (06.01.2014)
Published in Journal of the Royal Society interface (06.01.2014)
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Solution Structure and Backbone Dynamics of the Defunct Domain of Calcium Vector Protein
Théret, Isabelle, Baladi, Sibyl, Cox, Jos A, Gallay, Jacques, Sakamoto, Hiroshi, Craescu, Constantin T
Published in Biochemistry (Easton) (20.11.2001)
Published in Biochemistry (Easton) (20.11.2001)
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NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
DUVIVIER, Valérie, DURAND, Didier, KISS, Árpád, THERET, Isabelle, WÉBER, Csaba, SÁPI, Attila, RUDASOVÁ, Monika, MARTINY, Virginie, MOLNÁR, Mark, NYERGES, Miklós, VINSON, Cédric, SEEDORF, Klaus, BERGER, Sylvie, GYURIS, Márió, MADARÁSZ, Zoltán
Year of Publication 30.03.2023
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Year of Publication 30.03.2023
Patent
NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
DUVIVIER, Valérie, DURAND, Didier, KISS, Árpád, THERET, Isabelle, WÉBER, Csaba, SÁPI, Attila, RUDASOVÁ, Monika, MARTINY, Virginie, MOLNÁR, Mark, NYERGES, Miklós, VINSON, Cédric, SEEDORF, Klaus, BERGER, Sylvie, GYURIS, Márió, MADARÁSZ, Zoltán
Year of Publication 04.01.2023
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Year of Publication 04.01.2023
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New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them
DUVIVIER, Valérie, DURAND, Didier, KISS, Árpád, THERET, Isabelle, WÉBER, Csaba, SÁPI, Attila, RUDASOVÁ, Monika, MARTINY, Virginie, MOLNÁR, Mark, NYERGES, Miklós, VINSON, Cédric, SEEDORF, Klaus, BERGER, Sylvie, GYURIS, Márió, MADARÁSZ, Zoltán
Year of Publication 08.09.2022
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Year of Publication 08.09.2022
Patent
NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
DUVIVIER, Valérie, DURAND, Didier, KISS, Árpád, THERET, Isabelle, WÉBER, Csaba, SÁPI, Attila, MARTINY, Virginie, RUDASOVÁ, MONIKA, MOLNÁR, Mark, NYERGES, Miklós, VINSON, Cédric, SEEDORF, Klaus, BERGER, Sylvie, GYURIS, Márió, MADARÁSZ, Zoltán
Year of Publication 02.09.2021
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Year of Publication 02.09.2021
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MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
SEEDORF, KLAUS, RUDASOVA, MONIKA, VINSON, CEDRIC, NYERGES, MIKLOS, MADARASZ, ZOLTAN, SAPI, ATTILA, DURAND, DIDIER, BERGER, SYLVIE, KISS, ARPAD, MARTINY, VIRGINIE, THERET, ISABELLE, MOLNAR, MARK, GYURIS, MARIO, WEBER, CSABA, DUVIVIER, VALERIE
Year of Publication 02.09.2021
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Year of Publication 02.09.2021
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COMPOSTOS MACROCÍCLICOS, PROCESSO PARA SUA PREPARAÇÃO E COMPOSIÇÕES FARMACÊUTICAS CONTENDO-OS
MÁRK MOLNÁR, DIDIER DURAND, SYLVIE BERGER, VALÉRIE DUVIVIER, MÁRIÓ GYURIS, ZOLTÁN MADARÁSZ, CÉDRIC VINSON, ÁRPÁD KISS, ISABELLE THERET, KLAUS SEEDORF, MONIKA RUDASOVÁ, ATTILA SÁPI, CSABA WÉBER, MIKLÓS NYERGES, VIRGINIE MARTINY
Year of Publication 13.12.2022
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Year of Publication 13.12.2022
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NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
BERGER Sylvie, THERET Isabelle, SEEDORF Klaus, WÉBER Csaba, VINSON Cédric, GYURIS Márió, SÁPI Attila, DURAND Didier, MADARÁSZ Zoltán, MARTINY Virginie, RUDASOVÁ Monika, KISS Árpád, DUVIVIER Valérie, NYERGES Miklós, MOLNÁR Mark
Year of Publication 23.09.2022
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Year of Publication 23.09.2022
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COMPUESTOS MACROCÍCLICOS, UN PROCESO PARA SU PREPARACIÓN Y COMPOSICIONES FARMACÉUTICAS QUE LOS CONTIENEN
SEEDORF, KLAUS, SPI, ATTILA, GYURIS, MRI, MADARSZ, ZOLTN, DURAND, DIDIER, BERGER, SYLVIE, WBER, CSABA, VINSON, CDRIC, MARTINY, VIRGINIE, THERET, ISABELLE, MOLNR, MRK, RUDASOV, MONIKA, DUVIVIER, VALRIE, NYERGES, MIKLS, KISS, RPD
Year of Publication 08.06.2022
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Year of Publication 08.06.2022
Patent