Julian E. Fuchs

发表

Cleavage Entropy as Quantitative Measure of Protease Specificity

Klaus R. Liedl, Gudrun M. Spitzer, Julian E. Fuchs, 2013, PLoS Comput. Biol..

Substrate Sequences Tell Similar Stories as Binding Cavities: Commentary

Klaus R. Liedl, Julian E. Fuchs, K. Liedl, 2013, J. Chem. Inf. Model..

Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design

Emanuel S. R. Ehmki, Klaus R. Liedl, Julian E. Fuchs, 2016, Journal of Computer-Aided Molecular Design.

Substrate-Driven Mapping of the Degradome by Comparison of Sequence Logos

Christian Kramer, Klaus R. Liedl, Julian E. Fuchs, 2013, PLoS Comput. Biol..

Matched Peptides: Tuning Matched Molecular Pair Analysis for Biopharmaceutical Applications

Klaus R. Liedl, Bernd Wellenzohn, Nils Weskamp, 2015, J. Chem. Inf. Model..

Being Realistic about the Academic Funnel

Julian E. Fuchs, 2014 .

Minor Groove Binders and Drugs Targeting Proteins Cover Complementary Regions in Chemical Shape Space

Klaus R. Liedl, Bernd Wellenzohn, Gudrun M. Spitzer, 2011, J. Chem. Inf. Model..

Protease Inhibitors in View of Peptide Substrate Databases

Christian Kramer, Klaus R. Liedl, Julian E. Fuchs, 2016, J. Chem. Inf. Model..

Rationalizing Tight Ligand Binding through Cooperative Interaction Networks

Martin Stahl, Michael Reutlinger, Julian E. Fuchs, 2011, J. Chem. Inf. Model..

Strong Nonadditivity as a Key Structure–Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts

Christian Kramer, Klaus R. Liedl, Julian E. Fuchs, 2015, J. Chem. Inf. Model..

Heteroaromatic π-Stacking Energy Landscapes

Klaus R. Liedl, Christofer S. Tautermann, Thomas Fox, 2014, J. Chem. Inf. Model..

Binding Pose Flip Explained via Enthalpic and Entropic Contributions

Christian Kramer, Klaus R. Liedl, Julian E. Fuchs, 2017, J. Chem. Inf. Model..

(How to) Profit from Molecular Dynamics-based Ensemble Docking

Klaus R. Liedl, Julian E. Fuchs, Susanne von Grafenstein, 2014 .

DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations.

Zoe Cournia, Klaus R Liedl, Julian E. Fuchs, 2016, Biochimica et biophysica acta.

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 silico binding mode analysis.

Basappa, Julian E. Fuchs, A. Bender, 2015, Organic & biomolecular chemistry.

Interaction mechanisms of a melatonergic inhibitor in the melatonin synthesis pathway

Julian E. Fuchs, Sumra Wajid Abbasi, K. Liedl, 2016 .

Pharmacological Targets of Kaempferol Within Inflammatory Pathways—A Hint Towards the Central Role of Tryptophan Metabolism

Julian E. Fuchs, K. Kurz, D. Fuchs, 2020, Antioxidants.

Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD

Julian E. Fuchs, K. Liedl, A. S. Kamenik, 2016, Journal of chemical theory and computation.

Matched molecular pair analysis: significance and the impact of experimental uncertainty.

Julian E. Fuchs, S. Whitebread, K. Liedl, 2014, Journal of medicinal chemistry.

Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge

Julian E. Fuchs, R. Glen, A. Bender, 2015, Molecular informatics.

Novel Synthetic Biscoumarins Target Tumor Necrosis Factor-α in Hepatocellular Carcinoma in Vitro and in Vivo*

Basappa, Julian E. Fuchs, A. Bender, 2014, The Journal of Biological Chemistry.

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*

Basappa, Julian E. Fuchs, A. Bender, 2014, The Journal of Biological Chemistry.

Dynamics Govern Specificity of a Protein-Protein Interface: Substrate Recognition by Thrombin

Christian Kramer, Klaus R. Liedl, Julian E. Fuchs, 2015, PloS one.

Electrostatic recognition in substrate binding to serine proteases

Julian E. Fuchs, Birgit J. Waldner, G. Cruciani, 2018, Journal of molecular recognition : JMR.

Determinants of Macromolecular Specificity from Proteomics-Derived Peptide Substrate Data

Julian E. Fuchs, O. Schilling, K. Liedl, 2017, Current protein & peptide science.

Dynamic Regulation of Phenylalanine Hydroxylase by Simulated Redox Manipulation

Klaus R. Liedl, Gudrun M. Spitzer, Julian E. Fuchs, 2012, PLoS ONE.

Entropy from State Probabilities: Hydration Entropy of Cations

Julian E. Fuchs, Hannes G. Wallnoefer, R. Huber, 2013, The journal of physical chemistry. B.

Independent Metrics for Protein Backbone and Side-Chain Flexibility: Time Scales and Effects of Ligand Binding.

Julian E. Fuchs, Birgit J. Waldner, R. Huber, 2015, Journal of chemical theory and computation.

Molecular Connectivity Predefines Polypharmacology: Aliphatic Rings, Chirality, and sp3 Centers Enhance Target Selectivity

Julian E. Fuchs, K. Liedl, Stefania Monteleone, 2017, Front. Pharmacol..

Characterizing Protease Specificity: How Many Substrates Do We Need?

Christian Kramer, Klaus R. Liedl, Julian E. Fuchs, 2015, PloS one.

3D proteochemometrics: using three-dimensional information of proteins and ligands to address aspects of the selectivity of serine proteases.

Julian E. Fuchs, P. Prusis, A. Bender, 2017, MedChemComm.

Analysis of Differential Efficacy and Affinity of GABAA (α1/α2) Selective Modulators.

Julian E. Fuchs, R. M. Owen, R. Glen, 2016, Molecular pharmaceutics.

Dynamics of an Active-Site Flap Contributes to Catalysis in a JAMM Family Metallo Deubiquitinase.

Julian E. Fuchs, J. A. Ronau, C. Das, 2015, Biochemistry.

Inhibition of Collagenase by Mycosporine-like Amino Acids from Marine Sources

Julian E. Fuchs, J. Gostner, A. Hartmann, 2015, Planta Medica.

Inhibition of IRAK4 by microbial trimethylamine blunts metabolic inflammation and ameliorates glycemic control

Julian E. Fuchs, R. Glen, D. Gauguier, 2018, bioRxiv.

Quantitative Correlation of Conformational Binding Enthalpy with Substrate Specificity of Serine Proteases

Julian E. Fuchs, Birgit J. Waldner, R. Huber, 2015, The journal of physical chemistry. B.

Getting a Grip on the Undrugged: Targeting β‐Catenin with Fragment‐Based Methods

Julian E. Fuchs, M. Pearson, D. Breitsprecher, 2020, ChemMedChem.

Sulfated Ceria Catalyzed Synthesis of Imidazopyridines and Their Implementation as DNA Minor Groove Binders

Basappa, Julian E. Fuchs, A. Bender, 2019, Chemistry & biodiversity.

Synthesis and in vitro evaluation of hydrazinyl phthalazines against malaria parasite, Plasmodium falciparum.

Basappa, Julian E. Fuchs, A. Bender, 2016, Bioorganic & Medicinal Chemistry Letters.

Novel Adamantanyl-Based Thiadiazolyl Pyrazoles Targeting EGFR in Triple-Negative Breast Cancer

Lewis H. Mervin, Basappa, Julian E. Fuchs, 2016, ACS omega.

Nano-cuprous oxide catalyzed one-pot synthesis of a carbazole-based STAT3 inhibitor: a facile approach via intramolecular C–N bond formation reactions

Basappa, Julian E. Fuchs, A. Bender, 2016 .

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 inducing p21 and tubulin acetylation.

Basappa, Julian E. Fuchs, A. Bender, 2015, Bioorganic & medicinal chemistry.

Microwave-assisted synthesis, characterization and cytotoxic studies of novel estrogen receptor α ligands towards human breast cancer cells.

Basappa, Julian E. Fuchs, A. Bender, 2015, Bioorganic & medicinal chemistry letters.

A One Pot Synthesis of Novel Bioactive Tri-Substitute-Condensed-Imidazopyridines that Targets Snake Venom Phospholipase A2

Basappa, Julian E. Fuchs, A. Bender, 2015, PloS one.

Synthesis, characterization and in vitro evaluation of novel enantiomerically-pure sulphonamide antimalarials.

Basappa, Julian E. Fuchs, A. Bender, 2015, Organic & biomolecular chemistry.

Synthesis and characterization of novel oxazines and demonstration that they specifically target cyclooxygenase 2.

Chandra, Basappa, Julian E. Fuchs, 2015, Bioorganic & medicinal chemistry letters.

Development of Novel Triazolo-Thiadiazoles from Heterogeneous “Green” Catalysis as Protein Tyrosine Phosphatase 1B Inhibitors

Basappa, Julian E. Fuchs, A. Bender, 2015, Scientific Reports.

Novel synthetic coumarins that targets NF-κB in Hepatocellular carcinoma.

Basappa, Julian E. Fuchs, K. R. Dinesh, 2015, Bioorganic & medicinal chemistry letters.

An unexpected switch in peptide binding mode: from simulation to substrate specificity

Julian E. Fuchs, P. Goettig, K. Liedl, 2018, Journal of biomolecular structure & dynamics.

MOLPRINT 2D-based identification and synthesis of novel chromene based small molecules that target PLA2: validation through chemo- and bioinformatics approaches

Lewis H. Mervin, Basappa, Julian E. Fuchs, 2015 .

Precursors for cytochrome P450 profiling breath tests from an in silico screening approach

Julian E. Fuchs, K. Liedl, J. Troppmair, 2014, Journal of breath research.

Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3

Julian E. Fuchs, O. Fedorov, C. Arrowsmith, 2019, Nature Chemical Biology.

Experimental and computational evidence on conformational fluctuations as a source of catalytic defects in genetic diseases

Julian E. Fuchs, D. Timson, I. Muñoz, 2016 .

A Cross-Reactive Human Single-Chain Antibody for Detection of Major Fish Allergens, Parvalbumins, and Identification of a Major IgE-Binding Epitope

Julian E. Fuchs, C. Radauer, M. Bublin, 2015, PloS one.

Specificity of a protein–protein interface: Local dynamics direct substrate recognition of effector caspases

Julian E. Fuchs, Hannes G. Wallnoefer, K. Liedl, 2014, Proteins.

Mechanisms Responsible for ω-Pore Currents in Cav Calcium Channel Voltage-Sensing Domains

Julian E. Fuchs, K. Liedl, Alexandra Pinggera, 2017, Biophysical journal.

Fold stability during endolysosomal acidification is a key factor for allergenicity and immunogenicity of the major birch pollen allergen

Julian E. Fuchs, Hannes G. Wallnoefer, P. Lackner, 2016, The Journal of allergy and clinical immunology.

Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling

Markus J. Bauer, Julian E. Fuchs, J. Zuber, 2022, Nature Cancer.

An additional substrate binding site in a bacterial phenylalanine hydroxylase

Julian E. Fuchs, K. Liedl, C. Das, 2013, European Biophysics Journal.

Identification of Novel Class of Triazolo-Thiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity

Basappa, Julian E. Fuchs, A. Bender, 2017, BMC Cancer.

Sequence-specific positions of water molecules at the interface between DNA and minor groove binders.

Thierry Langer, Johannes Kirchmair, Klaus R Liedl, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex

Julian E. Fuchs, S. Knapp, J. Brenton, 2016, Journal of medicinal chemistry.

A Nano-MgO and Ionic Liquid-Catalyzed ‘Green’ Synthesis Protocol for the Development of Adamantyl-Imidazolo-Thiadiazoles as Anti-Tuberculosis Agents Targeting Sterol 14α-Demethylase (CYP51)

Lewis H. Mervin, Chandra, Basappa, 2015, PloS one.

Adamantyl-tethered-biphenylic compounds induce apoptosis in cancer cells by targeting Bcl homologs.

Basappa, Julian E. Fuchs, A. Bender, 2016, Bioorganic & medicinal chemistry letters.

A gatekeeper helix determines the substrate specificity of Sjögren–Larsson Syndrome enzyme fatty aldehyde dehydrogenase

Julian E. Fuchs, G. Golderer, E. Werner, 2014, Nature Communications.

Dynamic regulation of phenylalanine hydroxylase

Julian E. Fuchs, D. Fuchs, K. Liedl, 2014 .

Ligand Binding Modulates the Structural Dynamics and Compactness of the Major Birch Pollen Allergen

Julian E. Fuchs, M. Tollinger, H. Brandstetter, 2014, Biophysical journal.

Asymmetric arginine dimethylation of RelA provides a repressive mark to modulate TNFα/NF-κB response

Julian E. Fuchs, H. Lindner, L. Huber, 2016, Proceedings of the National Academy of Sciences.

Discovery of a small-molecule inhibitor of specific serine residue BAD phosphorylation

Basappa, Julian E. Fuchs, A. Bender, 2018, Proceedings of the National Academy of Sciences.

Synthesis, biological evaluation and in silico and in vitro mode-of-action analysis of novel dihydropyrimidones targeting PPAR-γ

Basappa, Julian E. Fuchs, K. R. Dinesh, 2014 .

Start selective and rigidify: The discovery path towards a next generation of EGFR tyrosine kinase inhibitors.

Julian E. Fuchs, P. Ettmayer, A. Baum, 2019, Journal of medicinal chemistry.

Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution

Julian E. Fuchs, E. Salido, D. Timson, 2017, Human molecular genetics.

Crystal structure of Pla l 1 reveals both structural similarity and allergenic divergence within the Ole e 1-like protein family.

Julian E. Fuchs, P. Briza, J. Lidholm, 2017, The Journal of allergy and clinical immunology.

Intrinsic flexibility of NLRP pyrin domains is a key factor in their conformational dynamics, fold stability, and dimerization

Julian E. Fuchs, C. Eibl, R. G. Huber, 2015, Protein science : a publication of the Protein Society.

Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations

Klaus R Liedl, Julian E. Fuchs, Birgit J. Waldner, 2018, J. Chem. Inf. Model..

Conformational dynamics is key to understanding loss-of-function of NQO1 cancer-associated polymorphisms and its correction by pharmacological ligands

Julian E. Fuchs, E. Salido, D. Timson, 2016, Scientific Reports.

Site-to-site interdomain communication may mediate different loss-of-function mechanisms in a cancer-associated NQO1 polymorphism

Julian E. Fuchs, E. Salido, D. Timson, 2017, Scientific Reports.

NMR Applications to Find and Progress TREX1 Binders

Julian E. Fuchs, L. Geist, M. Mayer, 2022, Journal of Magnetic Resonance Open.

A Step toward NRF2‐DNA Interaction Inhibitors by Fragment‐Based NMR Methods

Julian E. Fuchs, R. Konrat, Sven Brüschweiler, 2021, ChemMedChem.

Inverse PI by NMR: Analysis of Ligand 1H-Chemical Shifts in the Protein-Bound State

Julian E. Fuchs, R. Konrat, J. Böttcher, 2021, bioRxiv.

Identification of Novel Class of Triazolo-Thiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity

Basappa, Julian E. Fuchs, A. Bender, 2017, BMC Cancer.

Sequence diversity of NanA manifests in distinct enzyme kinetics and inhibitor susceptibility

Julian E. Fuchs, K. Liedl, M. Schmidtke, 2016, Scientific Reports.

Abstract 1472: Novel EGFR WT sparing, HER2 selective inhibitors for the treatment of HER2 exon 20 insertion driven tumors address a clear unmet medical need

Julian E. Fuchs, P. Ettmayer, M. Pearson, 2021, Experimental and Molecular Therapeutics.

The Impact of Nitration on the Structure and Immunogenicity of the Major Birch Pollen Allergen Bet v 1.0101

Julian E. Fuchs, P. Briza, H. Brandstetter, 2014, PloS one.

PI by NMR: Probing CH–π Interactions in Protein–Ligand Complexes by NMR Spectroscopy

Julian E. Fuchs, R. Konrat, Sven Brüschweiler, 2020, Angewandte Chemie.

Conformational Flexibility Differentiates Naturally Occurring Bet v 1 Isoforms

Julian E. Fuchs, M. Tollinger, K. Liedl, 2017, International journal of molecular sciences.

A Conserved Acidic Residue in Phenylalanine Hydroxylase Contributes to Cofactor Affinity and Catalysis

Julian E. Fuchs, K. Liedl, C. Das, 2014, Biochemistry.

Interface dynamics explain assembly dependency of influenza neuraminidase catalytic activity

Julian E. Fuchs, Hannes G. Wallnoefer, J. Rollinger, 2013, Journal of biomolecular structure & dynamics.

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization

Klaus R Liedl, Thomas Fox, Julian E. Fuchs, 2018, J. Chem. Inf. Model..

A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo

Julian E. Fuchs, M. Koegl, Barbara Mair, 2022, Nature Communications.

Targeted Synthesis of Complex Spiro[3H‐indole‐3,2′‐pyrrolidin]‐2(1H)‐ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2–p53 Inhibitors

Julian E. Fuchs, Joachim Broeker, D. Rudolph, 2018, ChemMedChem.

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

First insights into structure-function relationships of alkylglycerol monooxygenase

Julian E. Fuchs, G. Golderer, E. Werner, 2013 .

Catalytic residues and a predicted structure of tetrahydrobiopterin-dependent alkylglycerol mono-oxygenase

Julian E. Fuchs, G. Golderer, E. Werner, 2012, The Biochemical journal.

Adamantyl-tethered-biphenylic compounds induce apoptosis in cancer cells by targeting Bcl homologs.

Basappa, Julian E. Fuchs, A. Bender, 2016, Bioorganic & medicinal chemistry letters.

Correcting electrostatic artifacts due to net‐charge changes in the calculation of ligand binding free energies

Chris Oostenbrink, Julian E. Fuchs, Christoph Öhlknecht, 2020, J. Comput. Chem..

Inhibition of Collagenase by Mycosporine-like Amino Acids from Marine Sources

Julian E. Fuchs, J. Gostner, A. Hartmann, 2015, Planta Medica.

Synthesis, biological evaluation and in silico and in vitro mode-of-action analysis of novel dihydropyrimidones targeting PPAR-γ

Basappa, Julian E. Fuchs, K. R. Dinesh, 2014 .

Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments

Julian E. Fuchs, W. Sommergruber, K. Huber, 2023, ChemMedChem.

Cooperative binding of aflatoxin B1 by cytochrome P450 3A4: a computational study.

Chris Oostenbrink, Urban Bren, Julian E. Fuchs, 2014, Chemical research in toxicology.