Mélaine A. Kuenemann

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

Michael P. Menden, Dennis Wang, Mike J. Mason et al. · Nature Communications · 2019 · 350 citations · Full text

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

Isabella Alvim Guedes, André M. S. Barreto, Diogo Marinho et al. · Scientific Reports · 2021 · 210 citations · Full text

Drug Target, Engineering, Machine Learning +19

iPPI-DB: an online database of modulators of protein–protein interactions

Céline M. Labbé, Mélaine A. Kuenemann, Barbara Zarzycka et al. · Nucleic Acids Research · 2015 · 56 citations · Full text

Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis

Mélaine A. Kuenemann, Małgorzata Szymczyk, Yufei Chen et al. · Chemical Science · 2017 · 49 citations · Full text

Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?

Mélaine A. Kuenemann, Laura M. L. Bourbon, Céline M. Labbé et al. · Journal of Chemical Information and Modeling · 2014 · 39 citations

Protein–protein Interactions, Ppi Interface Inhibitors, Specific Properties +14