Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key

por Haupt, V. Joachim, Daminelli, Simone, Schroeder, Michael
Publicado 2013

Correction: Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key

por Haupt, V. Joachim, Daminelli, Simone, Schroeder, Michael
Publicado 2013

PLIP: fully automated protein–ligand interaction profiler

por Salentin, Sebastian, Schreiber, Sven, Haupt, V. Joachim, Adasme, Melissa F., Schroeder, Michael
Publicado 2015

An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffolds

por Schake, Philipp, Dishnica, Klevia, Kaiser, Florian, Leberecht, Christoph, Haupt, V. Joachim, Schroeder, Michael
Publicado 2023

New HSP27 inhibitors efficiently suppress drug resistance development in cancer cells

por Heinrich, Jörg C., Donakonda, Sainitin, Haupt, V. Joachim, Lennig, Petra, Zhang, Yixin, Schroeder, Michael
Publicado 2016

Structural binding site comparisons reveal Crizotinib as a novel LRRK2 inhibitor

por Bolz, Sarah Naomi, Salentin, Sebastian, Jennings, Gary, Haupt, V. Joachim, Sterneckert, Jared, Schroeder, Michael
Publicado 2021

Pioneering topological methods for network-based drug–target prediction by exploiting a brain-network self-organization theory

por Durán, Claudio, Daminelli, Simone, Thomas, Josephine M, Haupt, V Joachim, Schroeder, Michael, Cannistraci, Carlo Vittorio
Publicado 2017

From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns

por Salentin, Sebastian, Adasme, Melissa F., Heinrich, Jörg C., Haupt, V. Joachim, Daminelli, Simone, Zhang, Yixin, Schroeder, Michael
Publicado 2017

Backbone Brackets and Arginine Tweezers delineate Class I and Class II aminoacyl tRNA synthetases

por Kaiser, Florian, Bittrich, Sebastian, Salentin, Sebastian, Leberecht, Christoph, Haupt, V. Joachim, Krautwurst, Sarah, Schroeder, Michael, Labudde, Dirk
Publicado 2018

The structural basis of the genetic code: amino acid recognition by aminoacyl-tRNA synthetases

por Kaiser, Florian, Krautwurst, Sarah, Salentin, Sebastian, Haupt, V. Joachim, Leberecht, Christoph, Bittrich, Sebastian, Labudde, Dirk, Schroeder, Michael
Publicado 2020

PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA

por Adasme, Melissa F, Linnemann, Katja L, Bolz, Sarah Naomi, Kaiser, Florian, Salentin, Sebastian, Haupt, V Joachim, Schroeder, Michael
Publicado 2021

Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor

por Adasme, Melissa F., Parisi, Daniele, Van Belle, Kristien, Salentin, Sebastian, Haupt, V. Joachim, Jennings, Gary S., Heinrich, Jörg-Christian, Herman, Jean, Sprangers, Ben, Louat, Thierry, Moreau, Yves, Schroeder, Michael
Publicado 2020

Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling

por Juárez-Saldivar, Alfredo, Schroeder, Michael, Salentin, Sebastian, Haupt, V. Joachim, Saavedra, Emma, Vázquez, Citlali, Reyes-Espinosa, Francisco, Herrera-Mayorga, Verónica, Villalobos-Rocha, Juan Carlos, García-Pérez, Carlos A., Campillo, Nuria E., Rivera, Gildardo
Publicado 2020

Repositioned Drugs for Chagas Disease Unveiled via Structure-Based Drug Repositioning

por Adasme, Melissa F., Bolz, Sarah Naomi, Adelmann, Lauren, Salentin, Sebastian, Haupt, V. Joachim, Moreno-Rodríguez, Adriana, Nogueda-Torres, Benjamín, Castillo-Campos, Verónica, Yepez-Mulia, Lilián, De Fuentes-Vicente, José A., Rivera, Gildardo, Schroeder, Michael
Publicado 2020