| 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 | 235 | 2015 |
| Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.) JR Homoki, A Nemes, E Fazekas, G Gyémánt, P Balogh, F Gál, J Al-Asri, ... Food chemistry 194, 222-229, 2016 | 139 | 2016 |
| Design, synthesis and molecular docking study of novel quinoxalin-2 (1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their … SA Galal, SHM Khairat, FAF Ragab, AS Abdelsamie, MM Ali, SM Soliman, ... European Journal of Medicinal Chemistry 86, 122-132, 2014 | 134 | 2014 |
| 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 | 115 | 2012 |
| 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 | 68 | 2015 |
| Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase C Rakers, SM Schwerdtfeger, J Mortier, S Duwe, T Wolff, G Wolber, ... Bioorganic & medicinal chemistry letters 24 (17), 4312-4317, 2014 | 66 | 2014 |
| NF-κB inducing kinase (NIK) inhibitors: Identification of new scaffolds using virtual screening J Mortier, B Masereel, C Remouchamps, C Ganeff, J Piette Bioorganic & medicinal chemistry letters 20 (15), 4515-4520, 2010 | 66 | 2010 |
| Synthesis, biological activity and structure–activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in … R Ottanŕ, R Maccari, J Mortier, A Caselli, S Amuso, G Camici, A Rotondo, ... European journal of medicinal chemistry 71, 112-127, 2014 | 59 | 2014 |
| 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 | 54 | 2016 |
| Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin V Asante, J Mortier, G Wolber, B Koksch Amino acids 46, 2733-2744, 2014 | 48 | 2014 |
| Computational tools for in silico fragment-based drug design J Mortier, C Rakers, R Frederick, G Wolber Current topics in medicinal chemistry 12 (17), 1935-1943, 2012 | 48 | 2012 |
| 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 | 46 | 2017 |
| Design, synthesis and structure–activity relationship of novel quinoxaline derivatives as cancer chemopreventive agent by inhibition of tyrosine kinase receptor SA Galal, AS Abdelsamie, SM Soliman, J Mortier, G Wolber, MM Ali, ... European Journal of Medicinal Chemistry 69, 115-124, 2013 | 45 | 2013 |
| Truly target-focused pharmacophore modeling: a novel tool for mapping intermolecular surfaces J Mortier, P Dhakal, A Volkamer Molecules 23 (8), 1959, 2018 | 43 | 2018 |
| Identification of small molecules that modulate mutant p53 condensation C Lemos, L Schulze, J Weiske, H Meyer, N Braeuer, N Barak, ... Iscience 23 (9), 2020 | 36 | 2020 |
| 3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties C Meinguet, C Bruyčre, R Frédérick, V Mathieu, C Vancraeynest, ... European journal of medicinal chemistry 94, 45-55, 2015 | 33 | 2015 |
| Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods M Breznik, Y Ge, JP Bluck, H Briem, DF Hahn, CD Christ, J Mortier, ... ChemMedChem 18 (1), e202200425, 2023 | 32 | 2023 |
| Design, synthesis, inhibition studies, and molecular modeling of pepstatin analogues addressing different secreted aspartic proteinases of Candida albicans CD Cadicamo, J Mortier, G Wolber, M Hell, IE Heinrich, D Michel, ... Biochemical Pharmacology 85 (7), 881-887, 2013 | 32 | 2013 |
| Impact of fluorination on proteolytic stability of peptides in human blood plasma V Asante, J Mortier, H Schlüter, B Koksch Bioorganic & medicinal chemistry 21 (12), 3542-3546, 2013 | 30 | 2013 |
| Pyrazolo [4, 3-c] isoquinolines as potential inhibitors of NF-κB activation J Mortier, R Frederick, C Ganeff, C Remouchamps, P Talaga, L Pochet, ... Biochemical pharmacology 79 (10), 1462-1472, 2010 | 30 | 2010 |
Gerhard WolberProfessor for Pharmaceutical ChemistryVerified email at fu-berlin.de
