Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges

por Guedes, Isabella A., Pereira, Felipe S. S., Dardenne, Laurent E.
Publicado 2018

Structural modelling and comparative analysis of homologous, analogous and specific proteins from Trypanosoma cruzi versus Homo sapiens: putative drug targets for chagas' disease t...

por Capriles, Priscila VSZ, Guimarães, Ana CR, Otto, Thomas D, Miranda, Antonio B, Dardenne, Laurent E, Degrave, Wim M
Publicado 2010

New machine learning and physics-based scoring functions for drug discovery

por Guedes, Isabella A., Barreto, André M. S., Marinho, Diogo, Krempser, Eduardo, Kuenemann, Mélaine A., Sperandio, Olivier, Dardenne, Laurent E., Miteva, Maria A.
Publicado 2021

Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants

por Guedes, Isabella A., Costa, Leon S. C., dos Santos, Karina B., Karl, Ana L. M., Rocha, Gregório K., Teixeira, Iury M., Galheigo, Marcelo M., Medeiros, Vivian, Krempser, Eduardo, Custódio, Fábio L., Barbosa, Helio J. C., Nicolás, Marisa F., Dardenne, Laurent E.
Publicado 2021