Correct Bond Order Assignment in a Molecular Framework Using Integer Linear Programming with Application to Molecules Where Only Non-Hydrogen Atom Coordinates Are Available. - Matheus Froeyen; Piet Herdewijn (J. Chem. Inf. Model., 2005)

Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling. - Yunierkis Pérez-Castillo; Matheus Froeyen; Miguel Ángel Cabrera-Pérez; Ann Nowé (J. Comput. Aided Mol. Des., 2011)

GA(M)E-QSAR: A Novel, Fully Automatic Genetic-Algorithm-(Meta)-Ensembles Approach for Binary Classification in Ligand-Based Drug Design. - Yunierkis Pérez-Castillo; Cosmin Lazar; Jonatan Taminau; Matheus Froeyen; Miguel Ángel Cabrera-Pérez; Ann Nowé (J. Chem. Inf. Model., 2012)

New naphthalene derivative for cost-effective AChE inhibitors for Alzheimer's treatment: In silico identification, in vitro and in vivo validation. - Fareeha Anwar; Uzma Saleem; Bashir Ahmad 006; Muhammad Ashraf; Ata Ur Rehman; Matheus Froeyen; Lee Yean Kee; Iskandar Abdullah; Muhammad Usman Mirza; Sarfraz Ahmad (Comput. Biol. Chem., 2020)

Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease. - Muhammad Usman Mirza; Sarfraz Ahmad; Iskandar Abdullah; Matheus Froeyen (Comput. Biol. Chem., 2020)