Joachim Haupt
Joachim Haupt
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PLIP: fully automated protein–ligand interaction profiler
S Salentin, S Schreiber, VJ Haupt, MF Adasme, M Schroeder
Nucleic acids research 43 (W1), W443-W447, 2015
PLIP 2021: Expanding the scope of the protein–ligand interaction profiler to DNA and RNA
MF Adasme, KL Linnemann, SN Bolz, F Kaiser, S Salentin, VJ Haupt, ...
Nucleic acids research 49 (W1), W530-W534, 2021
Drug promiscuity in PDB: protein binding site similarity is key
VJ Haupt, S Daminelli, M Schroeder
PLoS one 8 (6), e65894, 2013
Old friends in new guise: repositioning of known drugs with structural bioinformatics
VJ Haupt, M Schroeder
Briefings in bioinformatics 12 (4), 312-326, 2011
Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
S Salentin, VJ Haupt, S Daminelli, M Schroeder
Progress in biophysics and molecular biology 116 (2-3), 174-186, 2014
New HSP27 inhibitors efficiently suppress drug resistance development in cancer cells
JC Heinrich, S Donakonda, VJ Haupt, P Lennig, Y Zhang, M Schroeder
Oncotarget 7 (42), 68156, 2016
Drug repositioning through incomplete bi-cliques in an integrated drug–target–disease network
S Daminelli, VJ Haupt, M Reimann, M Schroeder
Integrative Biology 4 (7), 778-788, 2012
Pioneering topological methods for network-based drug–target prediction by exploiting a brain-network self-organization theory
C Durn, S Daminelli, JM Thomas, VJ Haupt, M Schroeder, ...
Briefings in bioinformatics 19 (6), 1183-1202, 2018
From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns
S Salentin, MF Adasme, JC Heinrich, VJ Haupt, S Daminelli, Y Zhang, ...
Scientific reports 7 (1), 11401, 2017
The chemical class of quinazoline compounds provides a core structure for the design of anticytomegaloviral kinase inhibitors
C Hutterer, S Hamilton, M Steingruber, I Zeittrger, H Bahsi, N Thuma, ...
Antiviral Research 134, 130-143, 2016
Chemoinformatic analysis of biologically active macrocycles
W Brandt, VJ Haupt, LA Wessjohann
Current topics in medicinal chemistry 10 (14), 1361-1379, 2010
The structural basis of the genetic code: amino acid recognition by aminoacyl-tRNA synthetases
F Kaiser, S Krautwurst, S Salentin, VJ Haupt, C Leberecht, S Bittrich, ...
Scientific Reports 10 (1), 12647, 2020
Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction
T Štular, S Lešnik, K Rožman, J Schink, M Zdouc, A Ghysels, F Liu, ...
Journal of medicinal chemistry 59 (24), 11069-11078, 2016
Repositioned drugs for chagas disease unveiled via structure-based drug repositioning
MF Adasme, SN Bolz, L Adelmann, S Salentin, VJ Haupt, ...
International Journal of Molecular Sciences 21 (22), 8809, 2020
Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor
MF Adasme, D Parisi, K Van Belle, S Salentin, VJ Haupt, GS Jennings, ...
PLoS One 15 (5), e0233089, 2020
Computational drug repositioning for chagas disease using protein-ligand interaction profiling
A Jurez-Saldivar, M Schroeder, S Salentin, VJ Haupt, E Saavedra, ...
International journal of molecular sciences 21 (12), 4270, 2020
Backbone brackets and arginine tweezers delineate class I and class II aminoacyl tRNA synthetases
F Kaiser, S Bittrich, S Salentin, C Leberecht, VJ Haupt, S Krautwurst, ...
PLoS computational biology 14 (4), e1006101, 2018
Computational drug repositioning by target hopping: A use case in chagas disease
V Joachim Haupt, J E Aguilar Uvalle, S Salentin, S Daminelli, F Leonhardt, ...
Current Pharmaceutical Design 22 (21), 3124-3134, 2016
An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffolds
P Schake, K Dishnica, F Kaiser, C Leberecht, VJ Haupt, M Schroeder
Scientific Reports 13 (1), 9204, 2023
Structural binding site comparisons reveal Crizotinib as a novel LRRK2 inhibitor
SN Bolz, S Salentin, G Jennings, VJ Haupt, J Sterneckert, M Schroeder
Computational and Structural Biotechnology Journal 19, 3674-3681, 2021
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