Melisa E. Gantner

Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study

Manuel A. Llanos, Melisa E. Gantner, Santiago Rodrı́guez et al. · Journal of Chemical Information and Modeling · 2021 · 44 citations

Hit Identification, Sars-cov-2 Era, Molecular Biology +16

Development of Conformation Independent Computational Models for the Early Recognition of Breast Cancer Resistance Protein Substrates

Melisa E. Gantner, Mauricio E. Di Ianni, María Esperanza Ruiz et al. · BioMed Research International · 2013 · 18 citations · Full text

Drug Target, Engineering, Structural Bioinformatics +23

Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage

Melisa E. Gantner, Roxana N. Peroni, Juan Francisco Morales et al. · Journal of Chemical Information and Modeling · 2017 · 18 citations · Full text

Drug Target, Engineering, Computational Nonlinear Model +19

Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro

Santiago Ruatta, Denis N. Prada Gori, Martín Fló et al. · Frontiers in Pharmacology · 2023 · 13 citations · Full text