Pierre Ducrot

Orcid: 0000-0002-9868-5962

According to our database1, Pierre Ducrot authored at least 11 papers between 2001 and 2022.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Links

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Bibliography

2022
Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2022

Deep generative models for ligand-based de novo design applied to multi-parametric optimization.
J. Comput. Chem., 2022

2021
Development of a chemogenomics library for phenotypic screening.
J. Cheminformatics, 2021

2020
Shape-Based Descriptors for Efficient Structure-Based Fragment Growing.
J. Chem. Inf. Model., 2020

2017
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.
J. Comput. Aided Mol. Des., 2017

2014
Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules.
J. Chem. Inf. Model., 2014

2013
Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs.
J. Chem. Inf. Model., 2013

Towards a complete structure of the hERG channel.
J. Cheminformatics, 2013

2009
Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening.
J. Chem. Inf. Model., 2009

2006
Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data.
J. Comput. Aided Mol. Des., 2006

2001
CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV.
J. Comput. Aided Mol. Des., 2001


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