Structural Analysis of Chemokine Receptor–Ligand Interactions

Por Arimont, Marta, Sun, Shan-Liang, Leurs, Rob, Smit, Martine, de Esch, Iwan J. P., de Graaf, Chris
Publicado no J Med Chem (2017)

Inhibition of brain [(3)H]cimetidine binding by improgan-like antinociceptive drugs

Por Stadel, Rebecca, Carpenter, Amanda B., Nalwalk, Julia W., de Esch, Iwan J.P., Janssen, Elwin, Hough, Lindsay B.
Publicado em 2010

Function-specific virtual screening for GPCR ligands using a combined scoring method

Por Kooistra, Albert J., Vischer, Henry F., McNaught-Flores, Daniel, Leurs, Rob, de Esch, Iwan J. P., de Graaf, Chris
Publicado no Sci Rep (2016)

Targeted LC–MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA

Por Eggink, Mark, Wijtmans, Maikel, Kretschmer, Ansgar, Kool, Jeroen, Lingeman, Henk, de Esch, Iwan J. P., Niessen, Wilfried M. A., Irth, Hubertus
Publicado em 2010

Diazepam-bound GABA(A) receptor models identify new benzodiazepine binding-site ligands

Por Richter, Lars, de Graaf, Chris, Sieghart, Werner, Varagic, Zdravko, Mörzinger, Martina, de Esch, Iwan J P, Ecker, Gerhard F, Ernst, Margot
Publicado em 2012

The binding characteristics and orientation of a novel radioligand with distinct properties at 5-HT(3)A and 5-HT(3)AB receptors

Por Thompson, Andrew J., Verheij, Mark H.P., Verbeek, Joost, Windhorst, Albert D., de Esch, Iwan J.P., Lummis, Sarah C.R.
Publicado no Neuropharmacology (2014)

KLIFS: a structural kinase-ligand interaction database

Por Kooistra, Albert J., Kanev, Georgi K., van Linden, Oscar P.J., Leurs, Rob, de Esch, Iwan J.P., de Graaf, Chris
Publicado no Nucleic Acids Res (2016)

A fluorescent approach for identifying P2X1 ligands

Por Ruepp, Marc-David, Brozik, James A., de Esch, Iwan J.P., Farndale, Richard W., Murrell-Lagnado, Ruth D., Thompson, Andrew J.
Publicado no Neuropharmacology (2015)

Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain

Por Akdemir, Atilla, Edink, Ewald, Thompson, Andrew J., Lummis, Sarah C.R., Kooistra, Albert J., de Graaf, Chris, de Esch, Iwan J.P.
Publicado em 2012

3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery

Por Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Publicado no ChemMedChem (2018)

Design, Synthesis, and Structure–Activity Relationships of Highly Potent 5-HT(3) Receptor Ligands

Por Verheij, Mark H. P., Thompson, Andrew J., van Muijlwijk-Koezen, Jacqueline E., Lummis, Sarah C. R., Leurs, Rob, de Esch, Iwan J. P.
Publicado em 2012

Structure–Activity Relationships of Quinoxaline-Based 5-HT(3)A and 5-HT(3)AB Receptor-Selective Ligands

Por Thompson, Andrew J, Verheij, Mark H P, van Muijlwijk-Koezen, Jacqueline E, Lummis, Sarah C R, Leurs, Rob, de Esch, Iwan J P
Publicado em 2013

EPHA4 is overexpressed but not functionally active in Sézary syndrome

Por Hameetman, Liesbeth, van der Fits, Leslie, Zoutman, Willem H., Out-Luiting, Jacoba J., Siegal, Gregg, de Esch, Iwan J.P., Vermeer, Maarten H., Tensen, Cornelis P.
Publicado no Oncotarget (2015)

CC12, A High Affinity Ligand for (3)H-Cimetidine Binding, is an Improgan Antagonist

Por Hough, Lindsay B., Nalwalk, Julia W., Phillips, James G., Kern, Brian, Shan, Zhixing, Wentland, Mark P., de Esch, Iwan J.P., Janssen, Elwin, Barr, Travis, Stadel, Rebecca
Publicado em 2007

Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure

Por Jansen, Chimed, Wang, Huanchen, Kooistra, Albert J., de Graaf, Chris, Orrling, Kristina, Tenor, Hermann, Seebeck, Thomas, Bailey, David, de Esch, Iwan J.P., Ke, Hengming, Leurs, Rob
Publicado em 2013

Assembly of a π–π stack of ligands in the binding site of an acetylcholine-binding protein

Por Stornaiuolo, Mariano, De Kloe, Gerdien E., Rucktooa, Prakash, Fish, Alexander, van Elk, René, Edink, Ewald S., Bertrand, Daniel, Smit, August B., de Esch, Iwan J. P., Sixma, Titia K.
Publicado em 2013

In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

Por Roumen, Luc, Sanders, Marijn P.A., Vroling, Bas, de Esch, Iwan J.P., de Vlieg, Jacob, Leurs, Rob, Klomp, Jan P.G., Nabuurs, Sander B., de Graaf, Chris
Publicado em 2011

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

Por McGuire, Ross, Verhoeven, Stefan, Vass, Márton, Vriend, Gerrit, de Esch, Iwan J. P., Lusher, Scott J., Leurs, Rob, Ridder, Lars, Kooistra, Albert J., Ritschel, Tina, de Graaf, Chris
Publicado no J Chem Inf Model (2017)

Development of a microfluidic confocal fluorescence detection system for the hyphenation of nano-LC to on-line biochemical assays

Por Heus, Ferry, Giera, Martin, de Kloe, Gerdien E., van Iperen, Dick, Buijs, Joost, Nahar, Tariq T., Smit, August B., Lingeman, Henk, de Esch, Iwan J. P., Niessen, Wilfried M. A., Irth, Hubertus, Kool, Jeroen
Publicado em 2010

Non-competitive antagonism and inverse agonism as mechanism of action of non-peptidergic antagonists at primate and rodent CXCR3 chemokine receptors

Por Verzijl, Dennis, Storelli, Stefania, Scholten, Danny, Bosch, Leontien, Reinhart, Todd A., Streblow, Daniel N., Tensen, Cornelis P., Fitzsimons, Carlos P., Zaman, Guido J.R., Pease, James E., de Esch, Iwan J.P., Smit, Martine J., Leurs, Rob
Publicado em 2008