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F. Boeckler · SciRah

Researcher profile · Semantic Scholar

F. Boeckler

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F. Boeckler — researcher profile on SciRah

h-index: 32
Works: 93
Citations: 4,220

Most-cited papers

Principles and applications of halogen bonding in medicinal chemistry and chemical biology.
R. Wilcken, M. Zimmermann, A. Lange, A. Joerger +1 more
2013Journal of Medicinal Chemistry1,149 citations Open access
Semantic Scholar
Targeted rescue of a destabilized mutant of p53 by an in silico screened drug
F. Boeckler, A. Joerger, G. Jaggi, T. Rutherford +2 more
2008Proceedings of the National Academy of Sciences of the United States of America430 citations Open access
Semantic Scholar
Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53
R. Wilcken, Xiang-Ru Liu, M. Zimmermann, T. Rutherford +3 more
2012Journal of the American Chemical Society226 citations Open access
Semantic Scholar
Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0 - A Public Library of Challenging Docking Benchmark Sets
M. Bauer, Tamer M. Ibrahim, S. Vogel, F. Boeckler
2013Journal of Chemical Information and Modeling199 citations
Semantic Scholar
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition
R. Wilcken, Guozhen Wang, F. Boeckler, A. Fersht
2012Proceedings of the National Academy of Sciences of the United States of America117 citations Open access
Semantic Scholar
Using halogen bonds to address the protein backbone: a systematic evaluation
R. Wilcken, M. Zimmermann, A. Lange, Stefan Zahn +1 more
2012Journal of Computer-Aided Molecular Design97 citations
Semantic Scholar
DEKOIS: Demanding Evaluation Kits for Objective in Silico Screening - A Versatile Tool for Benchmarking Docking Programs and Scoring Functions
S. Vogel, M. Bauer, F. Boeckler
2011Journal of Chemical Information and Modeling92 citations
Semantic Scholar
The structural evolution of dopamine D3 receptor ligands: structure-activity relationships and selected neuropharmacological aspects.
F. Boeckler, P. Gmeiner
2006Pharmacology and Therapeutics82 citations
Semantic Scholar
Harnessing Fluorine–Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs
M. Bauer, Rhiannon N. Jones, M. Baud, R. Wilcken +4 more
2016ACS Chemical Biology75 citations Open access
Semantic Scholar
Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
A. Lange, Marcel Günther, F. M. Büttner, M. Zimmermann +11 more
2015Journal of the American Chemical Society74 citations
Semantic Scholar
Tri- and tetrasubstituted pyrazole derivates: regioisomerism switches activity from p38MAP kinase to important cancer kinases.
Bassam Abu Thaher, Martina Arnsmann, F. Totzke, J. Ehlert +6 more
2012Journal of Medicinal Chemistry67 citations Open access
Semantic Scholar
Fancy bioisosteres: metallocene-derived G-protein-coupled receptor ligands with subnanomolar binding affinity and novel selectivity profiles.
Karin Schlotter, F. Boeckler, H. Hübner, P. Gmeiner
2005Journal of Medicinal Chemistry63 citations Open access
Semantic Scholar
Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2
S. Vogel, M. Bauer, A. Joerger, R. Wilcken +5 more
2012Proceedings of the National Academy of Sciences of the United States of America62 citations Open access
Semantic Scholar
Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53
A. Joerger, M. Bauer, R. Wilcken, M. Baud +5 more
2015Structure57 citations Open access
Semantic Scholar
Addressing Methionine in Molecular Design through Directed Sulfur-Halogen Bonds.
R. Wilcken, M. Zimmermann, A. Lange, Stefan Zahn +2 more
2011Journal of Chemical Theory and Computation57 citations
Semantic Scholar
Inferring multi-target QSAR models with taxonomy-based multi-task learning
Lars Rosenbaum, Alexander Dörr, M. Bauer, F. Boeckler +1 more
2013Journal of Cheminformatics52 citations Open access
Semantic Scholar
Synthesis and Molecular Modeling of Novel Tetrahydro-β-carboline Derivatives with Phosphodiesterase 5 Inhibitory and Anticancer Properties
H. Mohamed, N. Girgis, R. Wilcken, M. Bauer +5 more
2010Journal of Medicinal Chemistry52 citations Open access
Semantic Scholar
Structure-selectivity investigations of D2-like receptor ligands by CoMFA and CoMSIA guiding the discovery of D3 selective PET radioligands.
I. Salama, C. Hocke, Wolfgang Utz, O. Prante +4 more
2007Journal of Medicinal Chemistry49 citations Open access
Semantic Scholar
Principles and Applications of CF2X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery
Sebastian Vaas, M. Zimmermann, D. Schollmeyer, Jason Stahlecker +8 more
2023Journal of Medicinal Chemistry45 citations Open access
Semantic Scholar
Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery—Construction of a Diversity-Optimized Halogen-Enriched Fragment Library
J. Heidrich, L. E. Sperl, F. Boeckler
2019Frontiers in Chemistry45 citations Open access
Semantic Scholar
Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.
M. Zimmermann, A. Lange, R. Wilcken, Mark Cieslik +4 more
2014Future Medicinal Chemistry45 citations
Semantic Scholar
Tri- and Tetrasubstituted Pyridinylimidazoles as Covalent Inhibitors of c-Jun N-Terminal Kinase 3.
F. Muth, A. El-Gokha, F. Ansideri, M. Eitel +7 more
2017Journal of Medicinal Chemistry44 citations Open access
Semantic Scholar
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization
Tamer M. Ibrahim, M. Bauer, F. Boeckler
2015Journal of Cheminformatics42 citations Open access
Semantic Scholar
Pharmacophore-guided drug discovery investigations leading to bioactive 5-aminotetrahydropyrazolopyridines. Implications for the binding mode of heterocyclic dopamine D3 receptor agonists.
J. Elsner, F. Boeckler, F. Heinemann, H. Hübner +1 more
2005Journal of Medicinal Chemistry42 citations Open access
Semantic Scholar
Machine Learning Estimates of Natural Product Conformational Energies
Matthias Rupp, M. Bauer, R. Wilcken, A. Lange +3 more
2014PLoS Comput. Biol.41 citations Open access
Semantic Scholar
Dopamine D3 receptor ligands: recent advances in the control of subtype selectivity and intrinsic activity.
F. Boeckler, P. Gmeiner
2007Biochimica et Biophysica Acta40 citations Open access
Semantic Scholar
Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: In silico Methods and Benchmarking
Tamer M. Ibrahim, Muhammad I. Ismail, M. Bauer, A. Bekhit +1 more
2020Frontiers in Chemistry38 citations Open access
Semantic Scholar
Evaluating the Potential of Halogen Bonding in Molecular Design: Automated Scaffold Decoration Using the New Scoring Function XBScore
M. Zimmermann, A. Lange, F. Boeckler
2015Journal of Chemical Information and Modeling38 citations
Semantic Scholar
Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexes.
F. Boeckler, H. Lanig, P. Gmeiner
2005Journal of Medicinal Chemistry38 citations Open access
Semantic Scholar
FAUC 213, a highly selective dopamine D4 receptor full antagonist, exhibits atypical antipsychotic properties in behavioural and neurochemical models of schizophrenia
F. Boeckler, H. Russig, Wei-Ning Zhang, S. Löber +5 more
2004Psychopharmacology36 citations
Semantic Scholar
Statistical Analysis in Clinical and Experimental Medical Research: Simplified Guidance for Authors and Reviewers
G. Panos, F. Boeckler
2023Drug Design, Development and Therapy35 citations Open access
Semantic Scholar
Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
S. Fischer, Heike K Wentsch, S. Mayer-Wrangowski, M. Zimmermann +8 more
2013Journal of Medicinal Chemistry35 citations Open access
Semantic Scholar
Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents.
Wagdy M. Eldehna, H. Almahli, Tamer M. Ibrahim, Mohamed Fares +4 more
2019European journal of medicinal chemistry31 citations
Semantic Scholar
Fancy bioisosteres: novel paracyclophane derivatives as super-affinity dopamine D3 receptor antagonists.
Karin Schlotter, F. Boeckler, H. Hübner, P. Gmeiner
2006Journal of Medicinal Chemistry31 citations Open access
Semantic Scholar
Targeting Histidine Side Chains in Molecular Design through Nitrogen-Halogen Bonds
A. Lange, M. Zimmermann, R. Wilcken, Stefan Zahn +1 more
2013Journal of Chemical Information and Modeling30 citations
Semantic Scholar
Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere
R. Wilcken, M. Zimmermann, M. Bauer, T. Rutherford +3 more
2015ACS Chemical Biology29 citations Open access
Semantic Scholar
Scaffold Effects on Halogen Bonding Strength
A. Lange, J. Heidrich, M. Zimmermann, T. Exner +1 more
2019Journal of Chemical Information and Modeling28 citations
Semantic Scholar
CoMFA and CoMSIA investigations revealing novel insights into the binding modes of dopamine D3 receptor agonists.
F. Boeckler, U. Ohnmacht, T. Lehmann, Wolfgang Utz +2 more
2005Journal of Medicinal Chemistry28 citations Open access
Semantic Scholar
pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening
Tamer M. Ibrahim, M. Bauer, Alexander Dörr, Erdem Veyisoglu +1 more
2015Journal of Chemical Information and Modeling27 citations
Semantic Scholar
Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38α Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3
F. Ansideri, J. T. Macedo, M. Eitel, A. El-Gokha +8 more
2018ACS Omega26 citations Open access
Semantic Scholar
Fancy bioisosteres: synthesis and dopaminergic properties of the endiyne FAUC 88 as a novel non-aromatic D3 agonist.
C. Lenz, C. Haubmann, H. Hübner, F. Boeckler +1 more
2005Bioorganic & Medicinal Chemistry26 citations
Semantic Scholar
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
Laila K. Elghoneimy, Muhammad I. Ismail, F. Boeckler, H. Azzazy +1 more
2021Comput. Biol. Medicine24 citations Open access
Semantic Scholar
Bicyclic melatonin receptor agonists containing a ring-junction nitrogen: Synthesis, biological evaluation, and molecular modeling of the putative bioactive conformation.
J. Elsner, F. Boeckler, K. Davidson, D. Sugden +1 more
2006Bioorganic & Medicinal Chemistry24 citations
Semantic Scholar
Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine
M. Zimmermann, A. Lange, Stefan Zahn, T. Exner +1 more
2016Journal of Chemical Information and Modeling23 citations
Semantic Scholar
Fancy bioisosteres: synthesis, SAR, and pharmacological investigations of novel nonaromatic dopamine D3 receptor ligands.
C. Lenz, F. Boeckler, H. Hübner, P. Gmeiner
2005Bioorganic & Medicinal Chemistry22 citations
Semantic Scholar
Fluorescence polarization-based assays for detecting compounds binding to inactive c-Jun N-terminal kinase 3 and p38α mitogen-activated protein kinase.
F. Ansideri, A. Lange, A. El-Gokha, F. Boeckler +1 more
2016Analytical Biochemistry21 citations
Semantic Scholar
CoMFA and CoMSIA investigations of dopamine D3 receptor ligands leading to the prediction, synthesis, and evaluation of rigidized FAUC 365 analogues.
I. Salama, Karin Schlotter, Wolfgang Utz, H. Hübner +2 more
2006Bioorganic & Medicinal Chemistry20 citations
Semantic Scholar
Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
Marcel Dammann, Jason Stahlecker, M. Zimmermann, Theresa Klett +5 more
2022Journal of Medicinal Chemistry17 citations Open access
Semantic Scholar
Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery
J. Heidrich, T. Exner, F. Boeckler
2018Journal of Chemical Information and Modeling17 citations
Semantic Scholar
Analogues of FAUC 73 revealing new insights into the structural requirements of nonaromatic dopamine D3 receptor agonists.
C. Lenz, F. Boeckler, H. Hübner, P. Gmeiner
2004Bioorganic & Medicinal Chemistry17 citations
Semantic Scholar

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