Marcel Bermudez
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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
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
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
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
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
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
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
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
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
Interruption of the ionic lock in the bradykinin B2 receptor results in constitutive internalization and turns several antagonists into strong agonists
J Leschner, G Wennerberg, J Feierler, M Bermudez, B Welte, I Kalatskaya, ...
Journal of Pharmacology and Experimental Therapeutics 344 (1), 85-95, 2013
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), 1-9, 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
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
Binding characteristics of [3H]‐JSM10292: a new cell membrane‐permeant non‐peptide bradykinin B2 receptor antagonist
A Faussner, S Schüssler, J Feierler, M Bermudez, J Pfeifer, ...
British journal of pharmacology 167 (4), 839-853, 2012
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
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
Structural determinants of diphenethylamines for interaction with the κ opioid receptor: synthesis, pharmacology and molecular modeling studies
E Guerrieri, M Bermudez, G Wolber, IP Berzetei-Gurske, ...
Bioorganic & medicinal chemistry letters 26 (19), 4769-4774, 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
Strategies for the discovery of biased GPCR ligands
M Bermudez, TN Nguyen, C Omieczynski, G Wolber
Drug discovery today, 2019
Nuclear transport of the human aryl hydrocarbon receptor and subsequent gene induction relies on its residue histidine 291
A Tkachenko, M Bermudez, S Irmer-Stooff, D Genkinger, ...
Archives of toxicology 92 (3), 1151-1160, 2018
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