Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening

por Adasme, Melissa F., Bolz, Sarah Naomi, Al-Fatlawi, Ali, Schroeder, Michael
Publicado 2022

PLIP: fully automated protein–ligand interaction profiler

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

Drug repositioning or target repositioning: A structural perspective of drug-target-indication relationship for available repurposed drugs

por Parisi, Daniele, Adasme, Melissa F., Sveshnikova, Anastasia, Bolz, Sarah Naomi, Moreau, Yves, Schroeder, Michael
Publicado 2020

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

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

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