Iwan J. P. de Esch

Publication Activity (10 Years)

Years Active: 2001-2023
Publications (10 Years): 7

Top Topics

Protein Homology

Convolutional Neural Networks

Virtual Screening

Top Venues

J. Chem. Inf. Model.

Nucleic Acids Res.

PLoS Comput. Biol.

Publications

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
Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks. PLoS Comput. Biol. 19 (9) (2023)
Icaro A. Simon, Evert J. Homan, Maikel Wijtmans, Michael Sundström, Rob Leurs, Iwan J. P. de Esch, Barbara Zarzycka
PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands. J. Chem. Inf. Model. 63 (21) (2023)
Georgi K. Kanev, Chris de Graaf, Bart A. Westerman, Iwan J. P. de Esch, Albert J. Kooistra
KLIFS: an overhaul after the first 5 years of supporting kinase research. Nucleic Acids Res. 49 (Database-Issue) (2021)
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
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine. J. Chem. Inf. Model. 57 (2) (2017)
Albert J. Kooistra, Georgi K. Kanev, Oscar P. J. van Linden, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf
KLIFS: a structural kinase-ligand interaction database. Nucleic Acids Res. 44 (Database-Issue) (2016)
Sabine Schultes, Albert J. Kooistra, Henry F. Vischer, Saskia Nijmeijer, Eric E. J. Haaksma, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf
Receptors. J. Chem. Inf. Model. 55 (5) (2015)
Albert J. Kooistra, Rob Leurs, Iwan J. P. de Esch, Chris de Graaf
Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study. J. Chem. Inf. Model. 55 (5) (2015)
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
Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints. J. Chem. Inf. Model. 52 (12) (2012)
Aldo Jongejan, Herman D. Lim, Rogier A. Smits, Iwan J. P. de Esch, Eric E. J. Haaksma, Rob Leurs
Receptor Using Mutational Analysis, Homology Modeling, and ab Initio Calculations. J. Chem. Inf. Model. 48 (7) (2008)
Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean
QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity. J. Chem. Inf. Model. 47 (3) (2007)
J. E. J. Mills, Iwan J. P. de Esch, Tim D. J. Perkins, Philip M. Dean
Slate: A method for the superposition of flexible ligands. J. Comput. Aided Mol. Des. 15 (1) (2001)