A biophysical study with carbohydrate derivatives explains the molecular basis of monosaccharide selectivity of the Pseudomonas aeruginosa lectin LecB von Sommer, Roman, Exner, Thomas E, Titz, Alexander

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pKa based protonation states and microspecies for protein–ligand docking von ten Brink, Tim, Exner, Thomas E.

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Capturing time-dependent activation of genes and stress-response pathways using transcriptomics in iPSC-derived renal proximal tubule cells von Jennings, Paul, Carta, Giada, Singh, Pranika, da Costa Pereira, Daniel, Feher, Anita, Dinnyes, Andras, Exner, Thomas E., Wilmes, Anja

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Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53 von Joerger, Andreas C., Bauer, Matthias R., Wilcken, Rainer, Baud, Matthias G.J., Harbrecht, Hannes, Exner, Thomas E., Boeckler, Frank M., Spencer, John, Fersht, Alan R.

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Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 2. Level of Theory, Basis Set, and Solvents Model Dependence von Frank, Andrea, Möller, Heiko M, Exner, Thomas E

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Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS von Korb, Oliver, Stützle, Thomas, Exner, Thomas E

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Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions von Dračínský, Martin, Möller, Heiko M, Exner, Thomas E

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Nanodiscs for INPHARMA NMR Characterization of GPCRs: Ligand Binding to the Human A2A Adenosine Receptor von Fredriksson, Kai, Lottmann, Philip, Hinz, Sonja, Onila, Iounut, Shymanets, Aliaksei, Harteneck, Christian, Müller, Christa E., Griesinger, Christian, Exner, Thomas E.

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European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials von van Rijn, Jeaphianne, Afantitis, Antreas, Culha, Mustafa, Dusinska, Maria, Exner, Thomas E., Jeliazkova, Nina, Longhin, Eleonora Marta, Lynch, Iseult, Melagraki, Georgia, Nymark, Penny, Papadiamantis, Anastasios G., Winkler, David A., Yilmaz, Hulya, Willighagen, Egon

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Human Telomeric Quadruplex Conformations Studied by Pulsed EPR von Singh, Vijay, Azarkh, Mykhailo, Exner, Thomas E, Hartig, Jörg S, Drescher, Malte

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Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data von Papadiamantis, Anastasios G., Klaessig, Frederick C., Exner, Thomas E., Hofer, Sabine, Hofstaetter, Norbert, Himly, Martin, Williams, Marc A., Doganis, Philip, Hoover, Mark D., Afantitis, Antreas, Melagraki, Georgia, Nolan, Tracy S., Rumble, John, Maier, Dieter, Lynch, Iseult

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Towards a qAOP framework for predictive toxicology - Linking data to decisions von Paini, Alicia, Campia, Ivana, Cronin, Mark T.D., Asturiol, David, Ceriani, Lidia, Exner, Thomas E., Gao, Wang, Gomes, Caroline, Kruisselbrink, Johannes, Martens, Marvin, Meek, M.E. Bette, Pamies, David, Pletz, Julia, Scholz, Stefan, Schüttler, Andreas, Spînu, Nicoleta, Villeneuve, Daniel L., Wittwehr, Clemens, Worth, Andrew, Luijten, Mirjam

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Easy-MODA: Simplifying standardised registration of scientific simulation workflows through MODA template guidelines powered by the Enalos Cloud Platform von Kolokathis, Panagiotis D., Sidiropoulos, Nikolaos K., Zouraris, Dimitrios, Varsou, Dimitra-Danai, Mintis, Dimitris G., Tsoumanis, Andreas, Dondero, Francesco, Exner, Thomas E., Sarimveis, Haralambos, Chaideftou, Evgenia, Paparella, Martin, Nikiforou, Fotini, Karakoltzidis, Achilleas, Karakitsios, Spyros, Sarigiannis, Dimosthenis, Friis, Jesper, Goldbeck, Gerhard, Winkler, David A., Peijnenburg, Willie, Serra, Angela, Greco, Dario, Melagraki, Georgia, Lynch, Iseult, Afantitis, Antreas

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@TOME 3.0: Interfacing Protein Structure Modeling and Ligand Docking von Pons, Jean-Luc, Reys, Victor, Grand, François, Moreau, Violaine, Gracy, Jerôme, Exner, Thomas E., Labesse, Gilles

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Automated assignment of NMR chemical shifts based on a known structure and 4D spectra von Trautwein, Matthias, Fredriksson, Kai, Möller, Heiko M., Exner, Thomas E.

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Temporal transcriptomic alterations of cadmium exposed human iPSC-derived renal proximal tubule-like cells von Singh, Pranika, Chandrasekaran, Vidya, Hardy, Barry, Wilmes, Anja, Jennings, Paul, Exner, Thomas E.

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New myxothiazols from the predatory bacterium Myxococcus fulvus von Schieferdecker, Sebastian, Exner, Thomas E, Gross, Harald, Roth, Martin, Nett, Markus

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Ab initio quality properties for macromolecules using the ADMA approach von Exner, Thomas E., Mezey, Paul G.

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PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design von Korb, Oliver, Stützle, Thomas, Exner, Thomas E.

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Ab Initio-Quality Electrostatic Potentials for Proteins:  An Application of the ADMA Approach von Exner, Thomas E, Mezey, Paul G

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