Auflistung nach Autor "Böckler, Frank"

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Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization

Ibrahim, Tamer M.; Bauer, Matthias R.; Böckler, Frank (2015)
Arylpiperidines as a new class of oxidosqualene cyclase inhibitors

Wilcken, Rainer; Böckler, Frank (2016)
Data quality in drug discovery: the role of analytical performance in ligand binding assays

Exner, Thomas Eckart; Böckler, Frank (2015)
Dibenzosuberones as p38 Mitogen-Activated Protein Kinase Inhibitors with Low ATP Competitiveness and Outstanding Whole Blood Activity

Fischer, Stefan; Wentsch-Teltschik, Heike Kristin; Zimmermann, Markus O.; Bauer, Silke Mona; Storch, Kirsten; Nieß, Raimund; Koeberle, Solveigh Cornelia; Böckler, Frank; Laufer, Stefan (2013)
Discovery of Ircinianin Lactones B and C-Two New Cyclic Sesterterpenes from the Marine Sponge Ircinia wistarii

Majer, Thomas; Bhattarai, Keshab; Straetener, Jan; Pohlmann, Justus; Zimmermann, Markus O.; Schindler, Michael; Brötz, Heike; Böckler, Frank; Gross, Harald (2022)
Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery-Construction of a Diversity-Optimized Halogen-Enriched Fragment Library

Heidrich, Johannes; Sperl, Laura E.; Böckler, Frank (2019)
Evaluating the Potential of Halogen Bonding in Molecular Design: Automated Scaffold Decoration Using the New Scoring Function XBScore

Zimmermann, Markus O.; Lange, Andreas; Böckler, Frank (2015)
Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0-A Public Library of Challenging Docking Benchmark Sets

Bauer, Matthias R.; Ibrahim, Tamer M.; Vogel, Simon M.; Böckler, Frank (2013)
Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere

Zimmermann, Markus O.; Böckler, Frank (2015)
Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53

Exner, Thomas Eckart; Böckler, Frank (2015)
Facilitating SARS CoV-2 RNA-Dependent RNA polymerase (RdRp) drug discovery by the aid of HCV NS5B palm subdomain binders: In silico approaches and benchmarking

Böckler, Frank (2021)
Fluorescence polarization-based assays for detecting compounds binding to inactive c-Jun N-terminal kinase 3 and p38 alpha mitogen-activated protein kinase

Ansideri, Francesco; Lange, Andreas; El-Gokha, Ahmed; Böckler, Frank; Koch, Pierre (2016)
Fluorescence polarization-based competition binding assay for c-Jun N-terminal kinases 1 and 2

Ansideri, Francesco; Dammann, Marcel; Koch, Pierre; Böckler, Frank (2017)
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)
Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

Wilcken, Rainer; Zimmermann, Markus O.; Böckler, Frank (2012)
Harnessing fluorine-sulfur contacts and multipolar interactions for the design of p53 mutant Y220C rescue drugs

Böckler, Frank (2016)
Identification of N,N-arylalkyl-picolinamide derivatives targeting the RNA-binding protein HuR, by combining biophysical fragment-screening and molecular hybridization

Böckler, Frank (2021)
In Silico Targeting of Fascin Protein for Cancer Therapy: Benchmarking, Virtual Screening and Molecular Dynamics Approaches

Böckler, Frank (2023)
Inferring multi-target QSAR models with taxonomy-based multi-task learning

Rosenbaum, Lars; Dörr, Alexander; Bauer, Matthias R.; Böckler, Frank; Zell, Andreas (2013)
Intramolecular signaling in tandem-GAF domains from PDE5 and PDE10 studied with a cyanobacterial adenylyl cyclase reporter

Banjac, Ana; Zimmermann, Markus O.; Kurz, Ursula; Schultz, Anita; Schultz, Joachim E.; Böckler, Frank (2012)

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Auflistung nach Autor "Böckler, Frank"

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