Isabelle Theret

According to our database, Isabelle Theret authored at least 4 papers between 2013 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

FastGrow: on-the-fly growing and its application to DYRK1A.

Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey

J. Comput. Aided Mol. Des., 2022

2017

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

Yvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, Françoise Perron-Sierra, Guillaume Poissonnet, Catherine Dacquet, Jean A. Boutin, Pierre Ducrot, Xavier Barril

J. Comput. Aided Mol. Des., 2017

2014

Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules.

Peter Schmidtke, Marine Ciantar, Isabelle Theret, Pierre Ducrot

J. Chem. Inf. Model., 2014

2013

Towards a complete structure of the hERG channel.

Peter Schmidtke, Ciantar Marine, Isabelle Theret, Pierre Ducrot

J. Cheminformatics, 2013