Andreas Heine

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 14

Top Topics

Crystal Structure

Molecular Docking

Tyrosine Kinase

Top Venues

Angewandte Chemie (International ed. in English)

Archiv der Pharmazie

ACS chemical biology

This page only lists publications with an associated author ORCID identifier.

Publications

Simon Huber, Niklas J Braun, Luna C Schmacke, Robin Murra, Daniela Ploen, Eberhard Hildt, Andreas Heine, Torsten Steinmetzer
Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Archiv der Pharmazie 357 (9) (2024)
Simon Huber, Niklas J Braun, Luna C Schmacke, Robin Murra, Daniela Ploen, Eberhard Hildt, Andreas Heine, Torsten Steinmetzer
Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Archiv der Pharmazie (2024)
Niklas J Braun, Simon Huber, Luna C Schmacke, Andreas Heine, Torsten Steinmetzer
Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease. ChemMedChem (2022)
Manfred S Weiss, Jan Wollenhaupt, Galen J Correy, Brian K Shoichet, Andreas Heine, Gerhard Klebe, Tobias Krojer, Marjolein Thunissen, Nicholas M Pearce
Of problems and opportunities-How to treat and how to not treat crystallographic fragment screening data. Protein science : a publication of the Protein Society 31 (9) (2022)
Dzung Nguyen, Dinar Abdullin, Caspar A Heubach, Toni Pfaffeneder, Andreas Nguyen, Andreas Heine, Klaus Reuter, François Diederich, Olav Schiemann, Gerhard Klebe
Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance. Angewandte Chemie (International ed. in English) 60 (43) (2021)
Alexander Metz, Jan Wollenhaupt, Steffen Glöckner, Niki Messini, Simon Huber, Tatjana Barthel, Ahmed Merabet, Hans Dieter Gerber, Andreas Heine, Gerhard Klebe, Manfred S Weiss
Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta crystallographica. Section D, Structural biology 77 (Pt 9) (2021)
Barbara Wienen-Schmidt, Matthias Oebbeke, Khang Ngo, Andreas Heine, Gerhard Klebe
Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. ChemMedChem 16 (1) (2020)
Martin Stieler, Christian Büchold, Marisa Schmitt, Andreas Heine, Martin Hils, Ralf Pasternack, Gerhard Klebe
Structure-Based Design of FXIIIa-Blockers: Addressing a Transient Hydrophobic Pocket in the Active Site of FXIIIa. ChemMedChem 15 (10) (2020)
Matthias Oebbeke, Christof Siefker, Björn Wagner, Andreas Heine, Gerhard Klebe
Fragment Binding to Kinase Hinge: If Charge Distribution and Local pKa Shifts Mislead Popular Bioisosterism Concepts. Angewandte Chemie (International ed. in English) 60 (1) (2020)
Engi Hassaan, Per-Olof Eriksson, Stefan Geschwindner, Andreas Heine, Gerhard Klebe
Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. ChemMedChem 15 (3) (2020)
Barbara Wienen-Schmidt, Denis Schmidt, Hans-Dieter Gerber, Andreas Heine, Holger Gohlke, Gerhard Klebe
Surprising Non-Additivity of Methyl Groups in Drug-Kinase Interaction. ACS chemical biology 14 (12) (2019)
Barbara Wienen-Schmidt, Tobias Wulsdorf, Hendrik R A Jonker, Krishna Saxena, Denis Kudlinzki, Verena Linhard, Sridhar Sreeramulu, Andreas Heine, Harald Schwalbe, Gerhard Klebe
On the Implication of Water on Fragment-to-Ligand Growth in Kinase Binding Thermodynamics. ChemMedChem 13 (18) (2018)
Varsha R Jumde, Milon Mondal, Robin M Gierse, M Yagiz Unver, Francesca Magari, Roos C W van Lier, Andreas Heine, Gerhard Klebe, Anna Katharina Herta Hirsch
Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin. ChemMedChem 13 (21) (2018)
Frederik Rainer Ehrmann, Jorna Kalim, Toni Pfaffeneder, Bruno Bernet, Christoph Hohn, Elisabeth Schäfer, Thomas Botzanowski, Sarah Cianférani, Andreas Heine, Klaus Reuter, François Diederich, Gerhard Klebe
Swapping Interface Contacts in the Homodimeric tRNA-Guanine Transglycosylase: An Option for Functional Regulation. Angewandte Chemie (International ed. in English) 57 (32) (2018)