| 36351797 | The Isoleucine at Position 118 in Transmembrane 2 Is Responsible for the Selectivity of Xamoterol, Nebivolol, and ICI89406 for the Human <i>β</i>1-Adrenoceptor. | Mol Pharmacol | 2023 |
| 37290182 | Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles. | Eur J Med Chem | 2023 |
| 36410167 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. | Eur J Med Chem | 2023 |
| 35106752 | Community guidelines for GPCR ligand bias: IUPHAR review 32. | Br J Pharmacol | 2022 |
| 35538063 | The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites. | Nat Commun | 2022 |
| 36402762 | How Carvedilol activates β<sub>2</sub>-adrenoceptors. | Nat Commun | 2022 |
| 35933013 | Isoforms of GPR35 have distinct extracellular N-termini that allosterically modify receptor-transducer coupling and mediate intracellular pathway bias. | J Biol Chem | 2022 |
| 35863587 | Allosteric modulation of GPCRs: From structural insights to in silico drug discovery. | Pharmacol Ther | 2022 |
| 34357063 | <i>In Vitro</i> Measurements of Cellular Forces and their Importance in the Lung-From the Sub- to the Multicellular Scale. | Life (Basel) | 2021 |
| 33764612 | Systematic investigation of PRMT6 substrate recognition reveals broad specificity with a preference for an RG motif or basic and bulky residues. | FEBS J | 2021 |
| 33530327 | Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening. | Molecules | 2021 |
| 34851820 | Disentangling bias between G<sub>q</sub>, GRK2, and arrestin3 recruitment to the M<sub>3</sub> muscarinic acetylcholine receptor. | Elife | 2021 |
| 34550124 | Fragment evolution for GPCRs: the role of secondary binding sites in optimization. | Chem Commun (Camb) | 2021 |
| 32296774 | The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling. | ACS Pharmacol Transl Sci | 2020 |
| 32977721 | Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor. | J Med Chem | 2020 |
| 32661425 | GPCRmd uncovers the dynamics of the 3D-GPCRome. | Nat Methods | 2020 |
| 32704182 | Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome. | Nat Methods | 2020 |
| 32669442 | Structure-based development of a subtype-selective orexin 1 receptor antagonist. | Proc Natl Acad Sci U S A | 2020 |
| 32112287 | A Taxicab geometry quantification system to evaluate the performance of in silico methods: a case study on adenosine receptors ligands. | J Comput Aided Mol Des | 2020 |
| 32301583 | A Focus on Unusual ECL2 Interactions Yields β<sub>2</sub> -Adrenergic Receptor Antagonists with Unprecedented Scaffolds. | ChemMedChem | 2020 |
| 30624918 | Virtual Compound Libraries in Computer-Assisted Drug Discovery. | J Chem Inf Model | 2019 |
| 31624135 | Comparative Docking to Distinct G Protein-Coupled Receptor Conformations Exclusively Yields Ligands with Agonist Efficacy. | Mol Pharmacol | 2019 |
| 31277259 | Guava (<i>Psidium guajava</i>) Fruit Extract Prepared by Supercritical CO<sub>2</sub> Extraction Inhibits Intestinal Glucose Resorption in a Double-Blind, Randomized Clinical Study. | Nutrients | 2019 |
| 30890659 | Direct targeting of Gα<sub>q</sub> and Gα<sub>11</sub> oncoproteins in cancer cells. | Sci Signal | 2019 |
| 31113876 | Interrogating dense ligand chemical space with a forward-synthetic library. | Proc Natl Acad Sci U S A | 2019 |
| 29056499 | The allosteric site regulates the voltage sensitivity of muscarinic receptors. | Cell Signal | 2018 |
| 29364664 | Binding-Site Compatible Fragment Growing Applied to the Design of β<sub>2</sub>-Adrenergic Receptor Ligands. | J Med Chem | 2018 |
| 29469969 | Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors. | Angew Chem Int Ed Engl | 2018 |
| 28007960 | PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases. | J Biol Chem | 2017 |
| 28419094 | An open source pharma roadmap. | PLoS Med | 2017 |
| 29226078 | Identification and <i>in silico</i> structural analysis of <i>Gallus gallus</i> protein arginine methyltransferase 4 (PRMT4). | FEBS Open Bio | 2017 |
| 28523097 | Similarity- and Substructure-Based Development of β<sub>2</sub>-Adrenergic Receptor Ligands Based on Unusual Scaffolds. | ACS Med Chem Lett | 2017 |
| 26821135 | Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry. | Drug Discov Today | 2016 |
| 29270804 | 11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. | J Cheminform | 2016 |
| 26582911 | The quorum-sensing regulator ComA from Bacillus subtilis activates transcription using topologically distinct DNA motifs. | Nucleic Acids Res | 2016 |
| 27155948 | GPCRdb: the G protein-coupled receptor database - an introduction. | Br J Pharmacol | 2016 |
| 26990027 | Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics. | ChemMedChem | 2016 |
| 26907157 | Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. | Eur J Med Chem | 2016 |
| 25398025 | Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking. | ACS Chem Biol | 2015 |
| 26535008 | The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling. | Sci Signal | 2015 |
| 26282054 | SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability. | J Chem Inf Model | 2015 |
| 26119231 | Fragment-based similarity searching with infinite color space. | J Comput Chem | 2015 |
| 25533960 | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant. | Nature | 2015 |
| 24955762 | Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate. | Biochemistry | 2014 |
| 23569204 | Structural and functional characterization of a phosphatase domain within yeast general transcription factor IIIC. | J Biol Chem | 2013 |
| 24065450 | [Computer-aided design of selective ligands binding to G protein-coupled receptors]. | Dtsch Med Wochenschr | 2013 |
| 24115223 | Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants. | Angew Chem Int Ed Engl | 2013 |
| 22313111 | Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones. | Biochemistry | 2012 |
| 23185482 | Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists. | PLoS One | 2012 |
| 22052652 | The golden age of GPCR structural biology: any impact on drug design? | Angew Chem Int Ed Engl | 2011 |