| # | Title | Journal | Year | Citations |
|---|
| 1 | MMPBSA.py: An Efficient Program for End-State Free Energy Calculations | Journal of Chemical Theory and Computation | 2012 | 2,891 |
| 2 | The Autodisplay Story, from Discovery to Biotechnical and Biomedical Applications | Microbiology and Molecular Biology Reviews | 2007 | 186 |
| 3 | Structure–Activity Studies on Suramin Analogues as Inhibitors of NAD+‐Dependent Histone Deacetylases (Sirtuins) | ChemMedChem | 2007 | 186 |
| 4 | Dualsteric GPCR targeting: a novel route to binding and signaling pathway selectivity | FASEB Journal | 2009 | 140 |
| 5 | Inhibition of Neutrophil Apoptosis by ATP Is Mediated by the P2Y11 Receptor | Journal of Immunology | 2007 | 106 |
| 6 | Identification of a Potent and Selective Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist with Favorable Physicochemical and in Vitro ADME Properties | Journal of Medicinal Chemistry | 2011 | 65 |
| 7 | Discovery of TUG-770: A Highly Potent Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist for Treatment of Type 2 Diabetes | ACS Medicinal Chemistry Letters | 2013 | 58 |
| 8 | Structure−Activity Study of Dihydrocinnamic Acids and Discovery of the Potent FFA1 (GPR40) Agonist TUG-469 | ACS Medicinal Chemistry Letters | 2010 | 56 |
| 9 | Discovery of a Potent and Selective Free Fatty Acid Receptor 1 Agonist with Low Lipophilicity and High Oral Bioavailability | Journal of Medicinal Chemistry | 2013 | 52 |
| 10 | Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonists: Mesylpropoxy Appendage Lowers Lipophilicity and Improves ADME Properties | Journal of Medicinal Chemistry | 2012 | 50 |
| 11 | Trading off stability against activity in extremophilic aldolases | Scientific Reports | 2016 | 48 |
| 12 | Allosteric Small Molecules Unveil a Role of an Extracellular E2/Transmembrane Helix 7 Junction for G Protein-coupled Receptor Activation | Journal of Biological Chemistry | 2007 | 45 |
| 13 | Hydroxamic Acids Immobilized on Resins (HAIRs): Synthesis of Dual‐Targeting HDAC Inhibitors and HDAC Degraders (PROTACs) | Angewandte Chemie - International Edition | 2020 | 42 |
| 14 | Co-culture of the fungusFusarium tricinctumwithStreptomyces lividansinduces production of cryptic naphthoquinone dimers | RSC Advances | 2019 | 37 |
| 15 | Aromatic N versus aromatic F: bioisosterism discovered in RNA base pairing interactions leads to a novel class of universal base analogs | Nucleic Acids Research | 2010 | 36 |
| 16 | Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies | Frontiers in Chemistry | 2018 | 34 |
| 17 | Relevance of copper transporter 1 and organic cation transporters 1–3 for oxaliplatin uptake and drug resistance in colorectal cancer cells | Metallomics | 2018 | 33 |
| 18 | Cryptic Secondary Metabolites from the Sponge-Associated Fungus Aspergillus ochraceus | Marine Drugs | 2019 | 32 |
| 19 | How Good Are State-of-the-Art Docking Tools in Predicting Ligand Binding Modes in Protein–Protein Interfaces? | Journal of Chemical Information and Modeling | 2012 | 29 |
| 20 | Chlorophenoxy aminoalkyl derivatives as histamine H3R ligands and antiseizure agents | Bioorganic and Medicinal Chemistry | 2016 | 28 |
| 21 | Target Flexibility in RNA−Ligand Docking Modeled by Elastic Potential Grids | ACS Medicinal Chemistry Letters | 2011 | 24 |
| 22 | Luciferase Reporter Gene Assay on Human, Murine and Rat Histamine H4 Receptor Orthologs: Correlations and Discrepancies between Distal and Proximal Readouts | PLoS ONE | 2013 | 24 |
| 23 | (2-Arylethenyl)-1,3,5-triazin-2-amines as a novel histamine H4 receptor ligands | European Journal of Medicinal Chemistry | 2015 | 24 |
| 24 | Structure–Activity and Structure–Toxicity Relationships of Peptoid‐Based Histone Deacetylase Inhibitors with Dual‐Stage Antiplasmodial Activity | ChemMedChem | 2019 | 24 |
| 25 | Autodisplay of catalytically active human hyaluronidase hPH-20 and testing of enzyme inhibitors | European Journal of Pharmaceutical Sciences | 2011 | 21 |
| 26 | Discovery of new acetylcholinesterase inhibitors for Alzheimer’s disease: virtual screening and in vitro characterisation | Journal of Enzyme Inhibition and Medicinal Chemistry | 2021 | 21 |
| 27 | Discovery of a Potent Free Fatty Acid 1 Receptor Agonist with Low Lipophilicity, Low Polar Surface Area, and Robust in Vivo Efficacy | Journal of Medicinal Chemistry | 2016 | 20 |
| 28 | Protein domain library generation by overlap extension (PDLGO): A tool for enzyme engineering | Analytical Biochemistry | 2008 | 18 |
| 29 | On the contributing role of the transmembrane domain for subunit-specific sensitivity of integrin activation | Scientific Reports | 2018 | 18 |
| 30 | Isophthalic Acid‐Based HDAC Inhibitors as Potent Inhibitors of HDAC8 from Schistosoma mansoni | Archiv Der Pharmazie | 2017 | 16 |
| 31 | Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands | PLoS ONE | 2019 | 16 |
| 32 | Nile blue A for staining Escherichia coli in flow cytometer experiments | Analytical Biochemistry | 2009 | 14 |
| 33 | Autoantibodies to αS1-Casein Are Induced by Breast-Feeding | PLoS ONE | 2012 | 14 |
| 34 | Histamine H3R Antagonists: From Scaffold Hopping to Clinical Candidates | Receptors | 2016 | 14 |
| 35 | Synthesis and biological activity of novel tert -amylphenoxyalkyl (homo)piperidine derivatives as histamine H 3 R ligands | Bioorganic and Medicinal Chemistry | 2017 | 13 |
| 36 | Cyclic heptapeptides from the soil-derived fungus Clonostachys rosea | Bioorganic and Medicinal Chemistry | 2019 | 12 |
| 37 | JAK2 p.G571S in B-cell precursor acute lymphoblastic leukemia: a synergizing germline susceptibility | Leukemia | 2019 | 10 |
| 38 | α-Aminoxy Peptoids: A Unique Peptoid Backbone with a Preference forcis-Amide Bonds | Chemistry - A European Journal | 2017 | 9 |
| 39 | Convenient Microwave‐Assisted Synthesis of 5‐Functionalized 1,2,4‐Triazolium Ylides Starting from N′,N′‐Disubstituted Carbohydrazonamides | European Journal of Organic Chemistry | 2008 | 7 |
| 40 | Indole carboxamides inhibit bovine testes hyaluronidase at pH 7.0 and indole acetamides activate the enzyme at pH 3.5 by different mechanisms | Journal of Enzyme Inhibition and Medicinal Chemistry | 2008 | 7 |
| 41 | Stability of murine bradykinin type 2 receptor despite treatment with NO, bradykinin, icatibant, or C1‐INH | Allergy: European Journal of Allergy and Clinical Immunology | 2015 | 7 |
| 42 | Azaphilone pigments and macrodiolides from the coprophilous fungus Coniella fragariae | Fìtoterapìâ | 2019 | 7 |
| 43 | Redesigning Aldolase Stereoselectivity by Homologous Grafting | PLoS ONE | 2016 | 7 |
| 44 | A Microplate based Screening of Benzimidazole Derivatives on Hyaluronidase Inhibition at PH 7 and 3.5 | Letters in Drug Design and Discovery | 2007 | 6 |
| 45 | On the potential alternate binding change mechanism in a dimeric structure of Pyruvate Phosphate Dikinase | Scientific Reports | 2017 | 6 |
| 46 | Application of Histone Deacetylase Inhibitors MPK472 and KSK64 as a Potential Treatment Option for Acanthamoeba Keratitis | Antimicrobial Agents and Chemotherapy | 2020 | 6 |
| 47 | 0771 Pitolisant Is A Safe And Effective Treatment For Children With Prader-willi Syndrome (pws) | Sleep | 2019 | 5 |
| 48 | Flexibility Analysis of Biomacromolecules with Application to Computer-Aided Drug Design | Methods in Molecular Biology | 2012 | 4 |
| 49 | Novel Recurrent Germline JAK2 G571S Variant in Childhood Acute B-Lymphoblastic Leukemia: A Double Hit One Pathway Scenario | Blood | 2018 | 3 |
| 50 | Differential effects of functionally different histamine H4 receptor ligands on acute irritant dermatitis in mice | Naunyn-Schmiedeberg's Archives of Pharmacology | 2018 | 2 |
