From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling

Marijn P. A. Sanders, Ross McGuire, Luc Roumen, +4

MedChemComm

Drug TargetBiomolecular Structure PredictionReciprocal Ligand SpaceSystems PharmacologyMolecular Pharmacology +20

Construction of 3D models of the CYP11B family as a tool to predict ligand binding characteristics

Luc Roumen, Marijn P. A. Sanders, K. Pieterse, +10

Journal of Computer-Aided Molecular Design

Switching from <i>S</i>- to <i>R-</i>Selectivity in the <i>Candida </i><i>antarctica</i> Lipase B-Catalyzed Ring-Opening of ω-Methylated Lactones:  Tuning Polymerizations by Ring Size

Jeroen van Buijtenen, Bart A. C. van As, M. A. L. Verbruggen, +7

Journal of the American Chemical Society

Snooker: A Structure-Based Pharmacophore Generation Tool Applied to Class A GPCRs

Marijn P. A. Sanders, Stefan Verhoeven, Chris de Graaf, +5

Journal of Chemical Information and Modeling

Drug TargetQuantitative PharmacologyPeptide ScienceSystems PharmacologyMolecular Pharmacology +19

Molecular Determinants of Ligand Binding Modes in the Histamine H₄Receptor: Linking Ligand-Based Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR) Models to in Silico Guided Receptor Mutagenesis Studies

Enade Perdana Istyastono, Saskia Nijmeijer, Herman D. Lim, +7

Journal of Medicinal Chemistry

Synthesis, Biological Evaluation, and Molecular Modeling of 1-Benzyl-1<i>H</i>-imidazoles as Selective Inhibitors of Aldosterone Synthase (CYP11B2)

Luc Roumen, Joris W. Peeters, Judith M. A. Emmen, +12

Journal of Medicinal Chemistry

Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H₄receptor

Enade Perdana Istyastono, Albert J. Kooistra, Henry F. Vischer, +7

MedChemComm

BiochemistryBiomolecular Structure PredictionNatural SciencesMedicineStructural Bioinformatics +12

Chemical Subtleties in Small-Molecule Modulation of Peptide Receptor Function: The Case of CXCR3 Biaryl-Type Ligands

Maikel Wijtmans, Danny J. Scholten, Luc Roumen, +9

Journal of Medicinal Chemistry

Chemical BiologyPeptide Receptor FunctionMedicinal ChemistryChemical SubtletiesDownstream Cxcr3 Signaling +17

A Prospective Cross-Screening Study on G-Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

Marijn P. A. Sanders, Luc Roumen, Eelke van der Horst, +17

Journal of Medicinal Chemistry

Drug TargetPeptide ScienceSystems PharmacologyMolecular PharmacologyVirtual Screening +19

Identification of a Novel Allosteric Binding Site in the CXCR2 Chemokine Receptor

Petra de Kruijf, Herman D. Lim, Luc Roumen, +9

Molecular Pharmacology