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531040-4 ; 933320 ; 933310

Lehrstuhl für Computergestützte molekulare Medizin (FZ Jülich) Also known as:Juniorprofessur für Computerbasierte Molekulare Wissenschaft (FZ Jülich); Lehr- und Forschungsgebiet Computerbasierte Molekulare Wissenschaft (FZ Jülich); Lehr- und Forschungsgebiet Computergestützte molekulare Medizin (FZ Jülich)
IDI:(DE-82)531040-4_20190129

⇧ RWTH Aachen ⇧

Recent Publications

All known publications ...
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Refining Ligand Poses in RNA/Ligand Complexes of Pharmaceutical Relevance: A Perspective by QM/MM Simulations and NMR Measurements
The journal of physical chemistry letters 16(7), 1702-1708 () [10.1021/acs.jpclett.4c03456]  GO BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;
KIRA6 is an Effective and Versatile Mast Cell Inhibitor of IgE‐mediated Activation
European journal of immunology 55(2), e202451348 () [10.1002/eji.202451348]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;  ;  ;
A conserved peptide-binding pocket in HyNaC/ASIC ion channels
Proceedings of the National Academy of Sciences of the United States of America 121(41), e2409097121 () [10.1073/pnas.2409097121]  GO BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;
Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution
Journal of chemical information and modeling 64(21), 8215-8226 () [10.1021/acs.jcim.4c01172]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease
Journal of chemical information and modeling 64(3), 892-904 () [10.1021/acs.jcim.3c01497]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein : The Case of Human MitoNEET
Journal of chemical information and modeling 63(2), 643-654 () [10.1021/acs.jcim.2c01280]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
Physical chemistry, chemical physics : PCCP 25(20), 13819-13824 () [10.1039/d3cp01388j]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail
Journal of chemical information and modeling 63(22), 7124-7132 () [10.1021/acs.jcim.3c01363]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article/Contribution to a book  ;  ;  ;  ;  ;  ;  ;
Low molecular weight inhibitors targeting the RNA-binding protein HuR
International journal of molecular sciences 24(17), 13127 () [10.3390/ijms241713127] special issue: "Small molecule drug design and research 2.0 / Special Issue Editor: Adel Nefzi, Guest Editor"  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Patent (Publication of the patent application)  ;  ;  ;  ;  ;  ;  ;
Inhibitoren für Bromodomänen
29 Seiten : Illustrationen ()  GO   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

All known publications ...
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 Record created 2019-01-29, last modified 2025-06-27
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