Auflistung nach Autor "Exner, Thomas Eckart"

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A Biophysical Study with Carbohydrate Derivatives Explains the Molecular Basis of Monosaccharide Selectivity of the Pseudomonas aeruginosa Lectin LecB

Exner, Thomas Eckart (2014)
Accurate ab initio prediction of NMR chemical shifts of nucleic acids and nucleic acids/protein complexes

Exner, Thomas Eckart (2014)
Automated assignment of NMR chemical shifts based on a known structure and 4D spectra

Trautwein, Matthias; Fredriksson, Kai; Exner, Thomas Eckart (2016)
Binding of HasA by its transmembrane receptor HasR follows a conformational funnel mechanism

Exner, Thomas Eckart (2020)
C-alpha torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulation

Exner, Thomas Eckart (2014)
Charge and Spin Confinement to the Amine Site in 3-Connected Triarylamine Vinyl Ruthenium Conjugates

Exner, Thomas Eckart (2013)
Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions

Exner, Thomas Eckart (2013)
Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens

Renner-Schneck, Michaela; Hinderberger, Isabel; Gisin, Jonathan; Exner, Thomas Eckart; Mayer, Christoph; Stehle, Thilo (2015)
Data quality in drug discovery: the role of analytical performance in ligand binding assays

Exner, Thomas Eckart; Böckler, Frank (2015)
Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53

Exner, Thomas Eckart; Böckler, Frank (2015)
Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery

Zimmermann, Markus O.; Lange, Andreas; Wilcken, Rainer; Cieslik, Markus B.; Exner, Thomas Eckart; Koch, Pierre; Böckler, Frank (2014)
Nanodiscs for INPHARMA NMR Characterization of GPCRs: Ligand Binding to the Human A2A Adenosine Receptor

Fredriksson, Kai; Shymanets, Aliaksei; Harteneck, Christian; Onila, Ionut; Exner, Thomas Eckart (2017)
New myxothiazols from the predatory bacterium Myxococcus fulvus

Exner, Thomas Eckart; Gross, Harald (2014)
On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking

Onila, Ionut; Fredriksson, Kai; Exner, Thomas Eckart (2015)
Performance of Protein-Ligand Docking with Simulated Chemical Shift Perturbations

Exner, Thomas Eckart (2015)
Predicting the Magnitude of sigma-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery

Heidrich, Johannes; Exner, Thomas Eckart; Böckler, Frank (2019)
Scaffold Effects on Halogen Bonding Strength

Lange, Andreas; Heidrich, Johannes; Zimmermann, Markus O.; Exner, Thomas Eckart; Böckler, Frank (2019)
Simultaneous Occurrence of Three Different Valence Tautomers in meso-Vinylruthenium-Modified Zinc Porphyrin Radical Cations

Exner, Thomas Eckart (2013)
Small changes-Huge influences: NMR chemical shifts of Ni(II) complexes with polar substrates

Exner, Thomas Eckart (2013)
Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 2. Level of Theory, Basis Set, and Solvents Model Dependence

Exner, Thomas Eckart (2012)

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Auflistung nach Autor "Exner, Thomas Eckart"

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