Pierre Ducrot - RankMe

11 papers Journal 11

Year	Rank	Type	Title / Venue / Authors
2022	J	`jnl`	Deep generative models for ligand-based de novo design applied to multi-parametric optimization. J. Comput. Chem. 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
2022	J	`jnl`	Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations. J. Chem. Inf. Model. Sonia Ziada, Julien Diharce, Eric Raimbaud, Samia Aci-Sèche, Pierre Ducrot, Pascal Bonnet
2021	J	`jnl`	Development of a chemogenomics library for phenotypic screening. J. Cheminformatics Bryan Dafniet, Natacha Cerisier, Batiste Boezio, Anaelle Clary, Pierre Ducrot, Thierry Dorval, Arnaud Gohier, David Brown, Karine Audouze, Olivier Taboureau
2020	J	`jnl`	Shape-Based Descriptors for Efficient Structure-Based Fragment Growing. J. Chem. Inf. Model. Patrick Penner, Virginie Y. Martiny, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey
2017	J	`jnl`	Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR. J. Comput. Aided Mol. Des. Yvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, Françoise Perron-Sierra, Guillaume Poissonnet, Catherine Dacquet, Jean A. Boutin, Pierre Ducrot, Xavier Barril
2014	J	`jnl`	Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules. J. Chem. Inf. Model. Peter Schmidtke, Marine Ciantar, Isabelle Theret, Pierre Ducrot
2013	J	`jnl`	Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs. J. Chem. Inf. Model. Jérémy Desaphy, Eric Raimbaud, Pierre Ducrot, Didier Rognan
2013	J	`jnl`	Towards a complete structure of the hERG channel. J. Cheminformatics Peter Schmidtke, Ciantar Marine, Isabelle Theret, Pierre Ducrot
2009	J	`jnl`	Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening. J. Chem. Inf. Model. Kristian Birchall, Valerie J. Gillet, Peter Willett, Pierre Ducrot, Claude Luttmann
2006	J	`jnl`	Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data. J. Comput. Aided Mol. Des. Elizabeth A. Kennewell, Peter Willett, Pierre Ducrot, Claude Luttmann
2001	J	`jnl`	CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV. J. Comput. Aided Mol. Des. Pierre Ducrot, Charles R. Andrianjara, Roger Wrigglesworth