DOGS: Reaction-Driven de novo Design of Bioactive Compounds

Reaction-drivende novodesign, synthesis and testing of potential type II kinase inhibitors

(2011) Gisbert Schneider et al.   Future Medicinal Chemistry

In Silico Characterization of Ligand Binding Modes in the Human Histamine H4 Receptor and their Impact on Receptor Activation

(2010) Tim Werner et al.   CHEMBIOCHEM

De novodesign: balancing novelty and confined chemical space

(2010) Peter S Kutchukian et al.   Expert Opinion on Drug Discovery

Design, Synthesis, and Biological Evaluation of a Novel Class of γ-Secretase Modulators with PPARγ Activity

(2010) Martina Hieke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

(2010) Sarah R. Langdon et al.   Molecular Informatics

Alzheimer's disease: strategies for disease modification

(2010) Martin Citron   NATURE REVIEWS DRUG DISCOVERY

Exploring the chemical space of γ-secretase modulators

(2010) Heiko Zettl et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

High Constitutive Activity and a G-Protein-Independent High-Affinity State of the Human Histamine H4-Receptor†

(2009) Erich H. Schneider et al.   BIOCHEMISTRY

2,4-Diaminopyrimidines as histamine H4 receptor ligands—Scaffold optimization and pharmacological characterization

(2009) Kerstin Sander et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Homology Model Adjustment and Ligand Screening with a Pseudoreceptor of the Human Histamine H4Receptor

(2009) Yusuf Tanrikulu et al.   ChemMedChem

From Machine Learning to Natural Product Derivatives that Selectively Activate Transcription Factor PPARγ

(2009) Matthias Rupp et al.   ChemMedChem

Histamine H3and H4receptors as novel drug targets

(2009) Ekaterini Tiligada et al.   EXPERT OPINION ON INVESTIGATIONAL DRUGS

FOG: Fragment Optimized Growth Algorithm for thede NovoGeneration of Molecules Occupying Druglike Chemical Space

(2009) Peter S. Kutchukian et al.   Journal of Chemical Information and Modeling

Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics

(2008) Y. von Coburg et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Concept of CombinatorialDe NovoDesign of Drug-like Molecules by Particle Swarm Optimization

(2008) Markus Hartenfeller et al.   Chemical Biology & Drug Design

Reaction-MQL: Line Notation for Functional Transformation

(2008) Felix H. Reisen et al.   Journal of Chemical Information and Modeling

Fragment Based Design of New H4Receptor−Ligands with Anti-inflammatory Properties in Vivo

(2008) Rogier A. Smits et al.   JOURNAL OF MEDICINAL CHEMISTRY