| The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes J Mortier, C Rakers, M Bermudez, MS Murgueitio, S Riniker, G Wolber Drug discovery today 20 (6), 686-702, 2015 | 204 | 2015 |
| Next generation 3D pharmacophore modeling D Schaller, D Šribar, T Noonan, L Deng, TN Nguyen, S Pach, D Machalz, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1468, 2020 | 147 | 2020 |
| In silico virtual screening approaches for anti-viral drug discovery MS Murgueitio, M Bermudez, J Mortier, G Wolber Drug Discovery Today: Technologies 9 (3), e219-e225, 2012 | 99 | 2012 |
| NSC23766, a widely used inhibitor of Rac1 activation, additionally acts as a competitive antagonist at muscarinic acetylcholine receptors M Levay, KA Krobert, K Wittig, N Voigt, M Bermudez, G Wolber, D Dobrev, ... Journal of Pharmacology and Experimental Therapeutics 347 (1), 69-79, 2013 | 89 | 2013 |
| Community guidelines for GPCR ligand bias: IUPHAR review 32 P Kolb, T Kenakin, SPH Alexander, M Bermudez, LM Bohn, CS Breinholt, ... British journal of pharmacology 179 (14), 3651-3674, 2022 | 81 | 2022 |
| Ligand binding ensembles determine graded agonist efficacies at a G protein-coupled receptor A Bock, M Bermudez, F Krebs, C Matera, B Chirinda, D Sydow, ... Journal of Biological Chemistry 291 (31), 16375-16389, 2016 | 79 | 2016 |
| Computational close up on protein–protein interactions: how to unravel the invisible using molecular dynamics simulations? C Rakers, M Bermudez, BG Keller, J Mortier, G Wolber Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (5), 345-359, 2015 | 53 | 2015 |
| More than a look into a crystal ball: Protein structure elucidation guided by molecular dynamics simulations M Bermudez, J Mortier, C Rakers, D Sydow, G Wolber Drug Discovery Today 21 (11), 1799-1805, 2016 | 50 | 2016 |
| Fluorination of photoswitchable muscarinic agonists tunes receptor pharmacology and photochromic properties L Agnetta, M Bermudez, F Riefolo, C Matera, E Claro, R Messerer, ... Journal of Medicinal Chemistry 62 (6), 3009-3020, 2019 | 40 | 2019 |
| Strategies for the discovery of biased GPCR ligands M Bermudez, TN Nguyen, C Omieczynski, G Wolber Drug Discovery Today 24 (4), 1031-1037, 2019 | 38 | 2019 |
| Arginase structure and inhibition: catalytic site plasticity reveals new modulation possibilities J Mortier, JRC Prévost, D Sydow, S Teuchert, C Omieczynski, ... Scientific Reports 7 (1), 13616, 2017 | 35 | 2017 |
| Chemoenzymatic synthesis of nonasulfated tetrahyaluronan with a paramagnetic tag for studying its complex with interleukin‐10 S Köhling, G Künze, K Lemmnitzer, M Bermudez, G Wolber, J Schiller, ... Chemistry–A European Journal 22 (16), 5563-5574, 2016 | 35 | 2016 |
| Dualsteric muscarinic antagonists–orthosteric binding pose controls allosteric subtype selectivity J Schmitz, D van der Mey, M Bermudez, J Klöckner, R Schrage, ... Journal of medicinal chemistry 57 (15), 6739-6750, 2014 | 35 | 2014 |
| Allosteric coupling and biased agonism in G protein‐coupled receptors A Bock, M Bermudez The FEBS Journal 288 (8), 2513-2528, 2021 | 33 | 2021 |
| Structure versus function—The impact of computational methods on the discovery of specific GPCR–ligands M Bermudez, G Wolber Bioorganic & Medicinal Chemistry 23 (14), 3907-3912, 2015 | 33 | 2015 |
| Ligand-Specific Restriction of Extracellular Conformational Dynamics Constrains Signaling of the M2 Muscarinic Receptor M Bermudez, A Bock, F Krebs, U Holzgrabe, K Mohr, MJ Lohse, G Wolber ACS chemical biology 12 (7), 1743-1748, 2017 | 27 | 2017 |
| Structural characteristics of the allosteric binding site represent a key to subtype selective modulators of muscarinic acetylcholine receptors M Bermudez, C Rakers, G Wolber Molecular informatics 34 (8), 526-530, 2015 | 25 | 2015 |
| Identification of a pyrogallol derivative as a potent and selective human TLR2 antagonist by structure-based virtual screening M Grabowski, MS Murgueitio, M Bermudez, J Rademann, G Wolber, ... Biochemical Pharmacology 154, 148-160, 2018 | 24 | 2018 |
| The novel small-molecule antagonist MMG-11 preferentially inhibits TLR2/1 signaling M Grabowski, MS Murgueitio, M Bermudez, G Wolber, G Weindl Biochemical Pharmacology 171, 113687, 2020 | 23 | 2020 |
| Does divergent binding pocket closure drive ligand bias for class A GPCRs? M Bermudez, A Bock Trends in pharmacological sciences 40 (4), 236-239, 2019 | 23 | 2019 |
Gerhard WolberProfessor for Pharmaceutical ChemistryVerified email at fu-berlin.de
