Iwan J. P. de Esch

Orcid: 0000-0002-1969-0238

According to our database1, Iwan J. P. de Esch authored at least 11 papers between 2001 and 2023.

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

Timeline

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Bibliography

2023
PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands.
J. Chem. Inf. Model., November, 2023

Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks.
PLoS Comput. Biol., 2023

2021
KLIFS: an overhaul after the first 5 years of supporting kinase research.
Nucleic Acids Res., 2021

2017
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.
J. Chem. Inf. Model., 2017

2016
KLIFS: a structural kinase-ligand interaction database.
Nucleic Acids Res., 2016

2015
Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT<sub>3</sub>A, Histamine H<sub>1</sub>, and Histamine H<sub>4</sub> Receptors.
J. Chem. Inf. Model., 2015

Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.
J. Chem. Inf. Model., 2015

2012
Virtual Fragment Screening: Discovery of Histamine H<sub>3</sub> Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints.
J. Chem. Inf. Model., 2012

2008
Delineation of Agonist Binding to the Human Histamine H<sub>4</sub> Receptor Using Mutational Analysis, Homology Modeling, and ab Initio Calculations.
J. Chem. Inf. Model., 2008

2007
QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.
J. Chem. Inf. Model., 2007

2001
Slate: A method for the superposition of flexible ligands.
J. Comput. Aided Mol. Des., 2001


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