Pierre Ducrot

According to our database, Pierre Ducrot authored at least 11 papers between 2001 and 2022.

Collaborative distances:

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

2022

Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations.

Sonia Ziada, Julien Diharce, Eric Raimbaud, Samia Aci-Sèche, Pierre Ducrot, Pascal Bonnet

J. Chem. Inf. Model., 2022

Deep generative models for ligand-based de novo design applied to multi-parametric optimization.

Quentin Perron, Olivier Mirguet, Hamza Tajmouati, Adam Skiredj, Anne Rojas, Arnaud Gohier, Pierre Ducrot, Marie-Pierre Bourguignon, Patricia Sansilvestri-Morel, Nicolas Do Huu, Françoise Gellibert, Yann Gaston-Mathé

J. Comput. Chem., 2022

2021

Development of a chemogenomics library for phenotypic screening.

Bryan Dafniet, Natacha Cerisier, Batiste Boezio, Anaelle Clary, Pierre Ducrot, Thierry Dorval, Arnaud Gohier, David Brown, Karine Audouze, Olivier Taboureau

J. Cheminformatics, 2021

2020

Shape-Based Descriptors for Efficient Structure-Based Fragment Growing.

Patrick Penner, Virginie Y. Martiny, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey

J. Chem. Inf. Model., 2020

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

Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs.

Jérémy Desaphy, Eric Raimbaud, Pierre Ducrot, Didier Rognan

J. Chem. Inf. Model., 2013

Towards a complete structure of the hERG channel.

Peter Schmidtke, Ciantar Marine, Isabelle Theret, Pierre Ducrot

J. Cheminformatics, 2013

2009

Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening.

Kristian Birchall, Valerie J. Gillet, Peter Willett, Pierre Ducrot, Claude Luttmann

J. Chem. Inf. Model., 2009

2006

Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data.

Elizabeth A. Kennewell, Peter Willett, Pierre Ducrot, Claude Luttmann

J. Comput. Aided Mol. Des., 2006

2001

CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV.

Pierre Ducrot, Charles R. Andrianjara, Roger Wrigglesworth

J. Comput. Aided Mol. Des., 2001