Search Results - "Glöckner, Steffen"

Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors by Glöckner, Steffen, Ngo, Khang, Sager, Christoph P, Hüfner-Wulsdorf, Tobias, Heine, Andreas, Klebe, Gerhard

“…Thermodynamics and kinetics of protein–ligand binding are both important aspects for the design of novel drug molecules. Presently, thermodynamic data are…”
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High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits by Schiebel, Johannes, Krimmer, Stefan G., Röwer, Karine, Knörlein, Anna, Wang, Xiaojie, Park, Ah Young, Stieler, Martin, Ehrmann, Frederik R., Fu, Kan, Radeva, Nedyalka, Krug, Michael, Huschmann, Franziska U., Glöckner, Steffen, Weiss, Manfred S., Mueller, Uwe, Klebe, Gerhard, Heine, Andreas

“…Today the identification of lead structures for drug development often starts from small fragment-like molecules raising the chances to find compounds that…”
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A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II by Glöckner, Steffen, Heine, Andreas, Klebe, Gerhard

“…Fragment screening is a powerful tool to identify and characterize binding pockets in proteins. We herein present the results of a proof-of-concept screening…”
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Simultaneous determination of thermodynamic and kinetic data by isothermal titration calorimetry by Glöckner, Steffen, Klebe, Gerhard

“…Thermodynamic and binding kinetic data increasingly support and guide the drug optimization process. Because ITC thermograms contain binding thermodynamic and…”
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The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II by Glöckner, Steffen, Ngo, Khang, Wagner, Björn, Heine, Andreas, Klebe, Gerhard

“…The fluorination of lead-like compounds is a common tool in medicinal chemistry to alter molecular properties in various ways and with different goals. We…”
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Synthesis and Functionalization of Hexacoordinate (Arenediolato)bis(polypyridyl)silicon(IV) Complexes by Breiding, Tom, Henker, Jens, Fu, Chen, Xiang, Yonggang, Glöckner, Steffen, Hofmann, Philipp, Harms, Klaus, Meggers, Eric

“…Hexacoordinate (arenediolato)silicon(IV) complexes that contain two additional 2,2′‐bipyridine or 1,10‐phenanthroline ligands are surprisingly stable against…”
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Frag4Lead: growing crystallographic fragment hits by catalog using fragment‐guided template docking by Metz, Alexander, Wollenhaupt, Jan, Glöckner, Steffen, Messini, Niki, Huber, Simon, Barthel, Tatjana, Merabet, Ahmed, Gerber, Hans-Dieter, Heine, Andreas, Klebe, Gerhard, Weiss, Manfred S.

“…In recent years, crystallographic fragment screening has matured into an almost routine experiment at several modern synchrotron sites. The hits of the…”
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The rapid synthesis of oxazolines and their heterogeneous oxidation to oxazoles under flow conditions by Glöckner, Steffen, Tran, Duc N, Ingham, Richard J, Fenner, Sabine, Wilson, Zoe E, Battilocchio, Claudio, Ley, Steven V

“…A rapid flow synthesis of oxazolines and their oxidation to the corresponding oxazoles is reported. The oxazolines are prepared at room temperature in a…”
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Validation of a 96-fragment library for crystallographic screening by Heine, Andreas, Siefker, Christof, Abazi, Namir, Glöckner, Steffen, Bertoletti, Nicole, Hassaan, Engi, Magari, Francesca, Metz, Alexander, Weiss, Manfred S., Klebe, Gerhard

“…Abstract only…”
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