Iwan J. P. de Esch

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

Collaborative distances:

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

2023

PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands.

Icaro A. Simon, Evert J. Homan, Maikel Wijtmans, Michael Sundström, Rob Leurs, Iwan J. P. de Esch, Barbara Zarzycka

J. Chem. Inf. Model., November, 2023

Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks.

Georgi K. Kanev, Yaran Zhang, Albert J. Kooistra, Andreas Bender, Rob Leurs, David Bailey, Thomas Würdinger, Chris de Graaf, Iwan J. P. de Esch, Bart A. Westerman

PLoS Comput. Biol., 2023

2021

KLIFS: an overhaul after the first 5 years of supporting kinase research.

Georgi K. Kanev, Chris de Graaf, Bart A. Westerman, Iwan J. P. de Esch, Albert J. Kooistra

Nucleic Acids Res., 2021

2017

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.

Ross McGuire, Stefan Verhoeven, Márton Vass, Gerrit Vriend, Iwan J. P. de Esch, Scott J. Lusher, Rob Leurs, Lars Ridder, Albert J. Kooistra, Tina Ritschel, Chris de Graaf

J. Chem. Inf. Model., 2017

2016

KLIFS: a structural kinase-ligand interaction database.

Albert J. Kooistra, Georgi K. Kanev, Oscar P. J. van Linden, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf

Nucleic Acids Res., 2016

2015

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT₃A, Histamine H₁, and Histamine H₄ Receptors.

Sabine Schultes, Albert J. Kooistra, Henry F. Vischer, Saskia Nijmeijer, Eric E. J. Haaksma, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf

J. Chem. Inf. Model., 2015

Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.

Albert J. Kooistra, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf

J. Chem. Inf. Model., 2015

2012

Virtual Fragment Screening: Discovery of Histamine H₃ Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints.

Francesco Sirci, Enade P. Istyastono, Henry F. Vischer, Albert J. Kooistra, Saskia Nijmeijer, Martien Kuijer, Maikel Wijtmans, Raimund Mannhold, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf

J. Chem. Inf. Model., 2012

2008

Delineation of Agonist Binding to the Human Histamine H₄ Receptor Using Mutational Analysis, Homology Modeling, and ab Initio Calculations.

Aldo Jongejan, Herman D. Lim, Rogier A. Smits, Iwan J. P. de Esch, Eric E. J. Haaksma, Rob Leurs

J. Chem. Inf. Model., 2008

2007

QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.

Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean

J. Chem. Inf. Model., 2007

2001

Slate: A method for the superposition of flexible ligands.

J. E. J. Mills, Iwan J. P. de Esch, Tim D. J. Perkins, Philip M. Dean

J. Comput. Aided Mol. Des., 2001