|Heteroaromatic π-stacking energy landscapes|
RG Huber, MA Margreiter, JE Fuchs, S von Grafenstein, CS Tautermann, ...
Journal of chemical information and modeling 54 (5), 1371-1379, 2014
|Development of a novel azaspirane that targets the Janus kinase-signal transducer and activator of transcription (STAT) pathway in hepatocellular carcinoma in vitro and in vivo|
CD Mohan, H Bharathkumar, KC Bulusu, V Pandey, S Rangappa, ...
Journal of Biological Chemistry 289 (49), 34296-34307, 2014
|Rationalizing tight ligand binding through cooperative interaction networks|
B Kuhn, JE Fuchs, M Reutlinger, M Stahl, NR Taylor
Journal of chemical information and modeling 51 (12), 3180-3198, 2011
|Novel synthetic biscoumarins target tumor necrosis factor-α in hepatocellular carcinoma in vitro and in vivo|
HK Keerthy, CD Mohan, KS Siveen, JE Fuchs, S Rangappa, ...
Journal of Biological Chemistry 289 (46), 31879-31890, 2014
|Synthesis of 1, 2-benzisoxazole tethered 1, 2, 3-triazoles that exhibit anticancer activity in acute myeloid leukemia cell lines by inhibiting histone deacetylases, and …|
N Ashwini, M Garg, CD Mohan, JE Fuchs, S Rangappa, S Anusha, ...
Bioorganic & medicinal chemistry 23 (18), 6157-6165, 2015
|Novel synthetic coumarins that targets NF-κB in Hepatocellular carcinoma|
M Neelgundmath, KR Dinesh, CD Mohan, F Li, X Dai, KS Siveen, ...
Bioorganic & medicinal chemistry letters 25 (4), 893-897, 2015
|DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations|
Y Wang, P Gkeka, JE Fuchs, KR Liedl, Z Cournia
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (11), 2846-2857, 2016
|The impact of nitration on the structure and immunogenicity of the major birch pollen allergen Bet v 1.0101|
C Ackaert, S Kofler, J Horejs-Hoeck, N Zulehner, C Asam, ...
PloS one 9 (8), e104520, 2014
|Matched molecular pair analysis: significance and the impact of experimental uncertainty|
C Kramer, JE Fuchs, S Whitebread, P Gedeck, KR Liedl
Journal of medicinal chemistry 57 (9), 3786-3802, 2014
|Cleavage entropy as quantitative measure of protease specificity|
JE Fuchs, S von Grafenstein, RG Huber, MA Margreiter, GM Spitzer, ...
PLoS Comput Biol 9 (4), e1003007, 2013
|A gatekeeper helix determines the substrate specificity of Sjögren–Larsson Syndrome enzyme fatty aldehyde dehydrogenase|
MA Keller, U Zander, JE Fuchs, C Kreutz, K Watschinger, T Mueller, ...
Nature communications 5 (1), 1-12, 2014
|Fold stability during endolysosomal acidification is a key factor for allergenicity and immunogenicity of the major birch pollen allergen|
Y Machado, R Freier, S Scheiblhofer, T Thalhamer, M Mayr, P Briza, ...
Journal of Allergy and Clinical Immunology 137 (5), 1525-1534, 2016
|Cooperative Binding of Aflatoxin B1 by Cytochrome P450 3A4: A Computational Study|
U Bren, JE Fuchs, C Oostenbrink
Chemical research in toxicology 27 (12), 2136-2147, 2014
|Inhibition of collagenase by mycosporine-like amino acids from marine sources|
A Hartmann, J Gostner, JE Fuchs, E Chaita, N Aligiannis, L Skaltsounis, ...
Planta medica 81 (10), 813, 2015
|Identification of protease specificity by combining proteome-derived peptide libraries and quantitative proteomics|
ML Biniossek, M Niemer, K Maksimchuk, B Mayer, J Fuchs, PF Huesgen, ...
Molecular & cellular proteomics 15 (7), 2515-2524, 2016
|Screening of quinoline, 1, 3-benzoxazine, and 1, 3-oxazine-based small molecules against isolated methionyl-tRNA synthetase and A549 and HCT116 cancer cells including an in …|
H Bharathkumar, CD Mohan, S Rangappa, T Kang, HK Keerthy, JE Fuchs, ...
Organic & biomolecular chemistry 13 (36), 9381-9387, 2015
|Identification of novel class of triazolo-thiadiazoles as potent inhibitors of human heparanase and their anticancer activity|
CP Baburajeev, CD Mohan, S Rangappa, DJ Mason, JE Fuchs, A Bender, ...
BMC cancer 17 (1), 235, 2017
|Asymmetric arginine dimethylation of RelA provides a repressive mark to modulate TNFα/NF-κB response|
A Reintjes, JE Fuchs, L Kremser, HH Lindner, KR Liedl, LA Huber, ...
Proceedings of the National Academy of Sciences 113 (16), 4326-4331, 2016
|Conformational dynamics is key to understanding loss-of-function of NQO1 cancer-associated polymorphisms and its correction by pharmacological ligands|
E Medina-Carmona, RJ Palomino-Morales, JE Fuchs, E Padín-Gonzalez, ...
Scientific reports 6, 20331, 2016
|Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation|
JE Fuchs, RG Huber, S Von Grafenstein, HG Wallnoefer, GM Spitzer, ...
PLoS One 7 (12), e53005, 2012