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Journal of Chemical Information and Modeling
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February 6, 2015
Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore
Markus O Zimmermann, Andreas Lange, Frank M Boeckler
Drug Design, Development and Therapy
|
May 2, 2023
Synthesis of Amino Acids Bearing Halodifluoromethyl Moieties and Their Application to p53-Derived Peptides Binding to Mdm2/Mdm4
Sebastian Vaas, Markus O Zimmermann, Theresa Klett, et al.
Frontiers in Chemistry
|
February 21, 2022
Quadruple Target Evaluation of Diversity-Optimized Halogen-Enriched Fragments (HEFLibs) Reveals Substantial Ligand Efficiency for AP2-Associated Protein Kinase 1 (AAK1)
Marcel Dammann, Markus Kramer, Markus O Zimmermann, et al.
Journal of Chemical Theory and Computation
|
June 9, 2025
Comparison of QM Methods for the Evaluation of Halogen-π Interactions for Large-Scale Data Generation
Marc U Engelhardt, Markus O Zimmermann, Finn Mier, et al.
Journal of Chemical Information and Modeling
|
November 25, 2025
A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen-π Interactions by Training Neural Networks
Marc U Engelhardt, Finn Mier, Markus O Zimmermann, et al.
Journal of Chemical Information and Modeling
|
April 14, 2026
Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein Contexts
Marc U Engelhardt, Finn Mier, Markus O Zimmermann, et al.
Journal of Chemical Information and Modeling
|
October 17, 2013
Targeting histidine side chains in molecular design through nitrogen-halogen bonds
Andreas Lange, Markus O Zimmermann, Rainer Wilcken, et al.
Journal of Computer-Aided Molecular Design
|
August 7, 2012
Using halogen bonds to address the protein backbone: a systematic evaluation
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Journal of Chemical Information and Modeling
|
July 6, 2016
Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine
Markus O Zimmermann, Andreas Lange, Stefan Zahn, et al.
Journal of Chemical Information and Modeling
|
January 11, 2019
Scaffold Effects on Halogen Bonding Strength
Andreas Lange, Johannes Heidrich, Markus O Zimmermann, et al.
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of 3
Search research articles
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Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Journal of Chemical Information and Modeling
|
February 6, 2015
Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore
Markus O Zimmermann, Andreas Lange, Frank M Boeckler
Drug Design, Development and Therapy
|
May 2, 2023
Synthesis of Amino Acids Bearing Halodifluoromethyl Moieties and Their Application to p53-Derived Peptides Binding to Mdm2/Mdm4
Sebastian Vaas, Markus O Zimmermann, Theresa Klett, et al.
Frontiers in Chemistry
|
February 21, 2022
Quadruple Target Evaluation of Diversity-Optimized Halogen-Enriched Fragments (HEFLibs) Reveals Substantial Ligand Efficiency for AP2-Associated Protein Kinase 1 (AAK1)
Marcel Dammann, Markus Kramer, Markus O Zimmermann, et al.
Journal of Chemical Theory and Computation
|
June 9, 2025
Comparison of QM Methods for the Evaluation of Halogen-π Interactions for Large-Scale Data Generation
Marc U Engelhardt, Markus O Zimmermann, Finn Mier, et al.
Journal of Chemical Information and Modeling
|
November 25, 2025
A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen-π Interactions by Training Neural Networks
Marc U Engelhardt, Finn Mier, Markus O Zimmermann, et al.
Journal of Chemical Information and Modeling
|
April 14, 2026
Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein Contexts
Marc U Engelhardt, Finn Mier, Markus O Zimmermann, et al.
Journal of Chemical Information and Modeling
|
October 17, 2013
Targeting histidine side chains in molecular design through nitrogen-halogen bonds
Andreas Lange, Markus O Zimmermann, Rainer Wilcken, et al.
Journal of Computer-Aided Molecular Design
|
August 7, 2012
Using halogen bonds to address the protein backbone: a systematic evaluation
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Journal of Chemical Information and Modeling
|
July 6, 2016
Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine
Markus O Zimmermann, Andreas Lange, Stefan Zahn, et al.
Journal of Chemical Information and Modeling
|
January 11, 2019
Scaffold Effects on Halogen Bonding Strength
Andreas Lange, Johannes Heidrich, Markus O Zimmermann, et al.
Page
of 3