Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery—Construction of a Diversity-Optimized Halogen-Enriched Fragment Library

af Heidrich, Johannes, Sperl, Laura E., Boeckler, Frank M.
Udgivet i Front Chem (2019)

Probing the impact of protein and ligand preparation procedures on chemotype enrichment in structure-based virtual screening using DEKOIS 2.0 benchmark sets

af Ibrahim, Tamer M, Bauer, Matthias R, Boeckler, Frank M
Udgivet 2014

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

af Ibrahim, Tamer M, Bauer, Matthias R, Boeckler, Frank M
Udgivet i J Cheminform (2015)

Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition

af Wilcken, Rainer, Wang, GuoZhen, Boeckler, Frank M., Fersht, Alan R.
Udgivet 2012

The Symmetric Tetravalent Sulfhydryl-Specific Linker NATBA Facilitates a Combinatorial “Tool Kit” Strategy for Phage Display-Based Selection of Functionalized Bicyclic Peptides

af Ernst, Christoph, Sindlinger, Julia, Schwarzer, Dirk, Koch, Pierre, Boeckler, Frank M.
Udgivet i ACS Omega (2018)

Use of DEKOIS 2.0 to gain insights for virtual screening

af Boeckler, Frank M, Bauer, Matthias R, Ibrahim, Tamer M, Vogel, Simon M
Udgivet 2014

Inferring multi-target QSAR models with taxonomy-based multi-task learning

af Rosenbaum, Lars, Dörr, Alexander, Bauer, Matthias R, Boeckler, Frank M, Zell, Andreas
Udgivet 2013

Small-Molecule Intervention At The Dimerization Interface Of Survivin By Novel Rigidized Scaffolds

af Ibrahim, Tamer M, Ernst, Christoph, Lange, Andreas, Hennig, Susanne, Boeckler, Frank M
Udgivet i Drug Des Devel Ther (2019)

Switching Between Bicyclic and Linear Peptides — The Sulfhydryl-Specific Linker TPSMB Enables Reversible Cyclization of Peptides

af Ernst, Christoph, Heidrich, Johannes, Sessler, Catharina, Sindlinger, Julia, Schwarzer, Dirk, Koch, Pierre, Boeckler, Frank M.
Udgivet i Front Chem (2018)

Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: In silico Methods and Benchmarking

af Ibrahim, Tamer M., Ismail, Muhammad I., Bauer, Matthias R., Bekhit, Adnan A., Boeckler, Frank M.
Udgivet i Front Chem (2020)

Machine Learning Estimates of Natural Product Conformational Energies

af Rupp, Matthias, Bauer, Matthias R., Wilcken, Rainer, Lange, Andreas, Reutlinger, Michael, Boeckler, Frank M., Schneider, Gisbert
Udgivet 2014

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

af Elghoneimy, Laila K., Ismail, Muhammad I., Boeckler, Frank M., Azzazy, Hassan M.E., Ibrahim, Tamer M.
Udgivet i Comput Biol Med (2021)

Targeted rescue of a destabilized mutant of p53 by an in silico screened drug

af Boeckler, Frank M., Joerger, Andreas C., Jaggi, Gaurav, Rutherford, Trevor J., Veprintsev, Dmitry B., Fersht, Alan R.
Udgivet 2008

Symmetric dimeric adamantanes for exploring the structure of two viroporins: influenza virus M2 and hepatitis C virus p7

af Mandour, Yasmine M, Breitinger, Ulrike, Ma, Chunlong, Wang, Jun, Boeckler, Frank M, Breitinger, Hans-Georg, Zlotos, Darius P
Udgivet i Drug Des Devel Ther (2018)

Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

af Wilcken, Rainer, Liu, Xiangrui, Zimmermann, Markus O., Rutherford, Trevor J., Fersht, Alan R., Joerger, Andreas C., Boeckler, Frank M.
Udgivet 2012

Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere

af Wilcken, Rainer, Zimmermann, Markus O., Bauer, Matthias R., Rutherford, Trevor J., Fersht, Alan R., Joerger, Andreas C., Boeckler, Frank M.
Udgivet i ACS Chem Biol (2015)

Harnessing Fluorine–Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs

af Bauer, Matthias R., Jones, Rhiannon N., Baud, Matthias G. J., Wilcken, Rainer, Boeckler, Frank M., Fersht, Alan R., Joerger, Andreas C., Spencer, John
Udgivet i ACS Chem Biol (2016)

Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2

af Vogel, Simon M., Bauer, Matthias R., Joerger, Andreas C., Wilcken, Rainer, Brandt, Tobias, Veprintsev, Dmitry B., Rutherford, Trevor J., Fersht, Alan R., Boeckler, Frank M.
Udgivet 2012

Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53

af 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.
Udgivet i Structure (2015)

Synthesis and Molecular Modeling of Novel Tetrahydro-β-carboline Derivatives with Phosphodiesterase 5 Inhibitory and Anticancer Properties

af Mohamed, Heba A., Girgis, Nancy M. R., Wilcken, Rainer, Bauer, Matthias R., Tinsley, Heather N., Gary, Bernard D., Piazza, Gary A., Boeckler, Frank M., Abadi, Ashraf H.
Udgivet i J Med Chem (2010)