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

by Johannes Heidrich, Laura E. Sperl, Frank M. Boeckler, Frank M. Boeckler
Published 2019-02-01

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

by Christoph Ernst, Johannes Heidrich, Catharina Sessler, Julia Sindlinger, Dirk Schwarzer, Pierre Koch, Frank M. Boeckler, Frank M. Boeckler
Published 2018-10-01

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

by Christoph Ernst, Julia Sindlinger, Dirk Schwarzer, Pierre Koch, Frank M. Boeckler
Published 2018-10-01

Machine learning estimates of natural product conformational energies.

by Matthias Rupp, Matthias R Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M Boeckler, Gisbert Schneider
Published 2014-01-01

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

by Tamer M. Ibrahim, Muhammad I. Ismail, Matthias R. Bauer, Matthias R. Bauer, Adnan A. Bekhit, Adnan A. Bekhit, Frank M. Boeckler
Published 2020-11-01

Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38α Mitogen-Activated Protein Kinase to c‑Jun N‑Terminal Kinase 3

by Francesco Ansideri, Joana T. Macedo, Michael Eitel, Ahmed El-Gokha, Dhafer S. Zinad, Camilla Scarpellini, Mark Kudolo, Dieter Schollmeyer, Frank M. Boeckler, Bärbel S. Blaum, Stefan A. Laufer, Pierre Koch
Published 2018-07-01