Iwan J. P. de Esch

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2023 J jnl
PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands.
J. Chem. Inf. Model.
Icaro A. Simon, Evert J. Homan, Maikel Wijtmans, Michael Sundström, Rob Leurs, Iwan J. P. de Esch, Barbara Zarzycka
2023 J jnl
Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks.
PLoS Comput. Biol.
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
2021 J jnl
KLIFS: an overhaul after the first 5 years of supporting kinase research.
Nucleic Acids Res.
Georgi K. Kanev, Chris de Graaf, Bart A. Westerman, Iwan J. P. de Esch, Albert J. Kooistra
2017 J jnl
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.
J. Chem. Inf. Model.
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
2016 J jnl
KLIFS: a structural kinase-ligand interaction database.
Nucleic Acids Res.
Albert J. Kooistra, Georgi K. Kanev, Oscar P. J. van Linden, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf
2015 J jnl
Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT
J. Chem. Inf. Model.
Sabine Schultes, Albert J. Kooistra, Henry F. Vischer, Saskia Nijmeijer, Eric E. J. Haaksma, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf
2015 J jnl
Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.
J. Chem. Inf. Model.
Albert J. Kooistra, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf
2012 J jnl
Virtual Fragment Screening: Discovery of Histamine H
J. Chem. Inf. Model.
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
2008 J jnl
Delineation of Agonist Binding to the Human Histamine H
J. Chem. Inf. Model.
Aldo Jongejan, Herman D. Lim, Rogier A. Smits, Iwan J. P. de Esch, Eric E. J. Haaksma, Rob Leurs
2007 J jnl
QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.
J. Chem. Inf. Model.
Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean
2001 J jnl
Slate: A method for the superposition of flexible ligands.
J. Comput. Aided Mol. Des.
J. E. J. Mills, Iwan J. P. de Esch, Tim D. J. Perkins, Philip M. Dean