Isabelle Theret

Publication Activity (10 Years)

Years Active: 2013-2022
Publications (10 Years): 2

Top Topics

Temporal Evolution

Competitive Learning

Top Venues

J. Comput. Aided Mol. Des.

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey
FastGrow: on-the-fly growing and its application to DYRK1A. J. Comput. Aided Mol. Des. 36 (9) (2022)
Yvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, Françoise Perron-Sierra, Guillaume Poissonnet, Catherine Dacquet, Jean A. Boutin, Pierre Ducrot, Xavier Barril
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR. J. Comput. Aided Mol. Des. 31 (8) (2017)
Peter Schmidtke, Marine Ciantar, Isabelle Theret, Pierre Ducrot
Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules. J. Chem. Inf. Model. 54 (8) (2014)
Peter Schmidtke, Ciantar Marine, Isabelle Theret, Pierre Ducrot
Towards a complete structure of the hERG channel. J. Cheminformatics 5 (S-1) (2013)