Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling. - Michael M. H. Graf; Manuela Maurer; Chris Oostenbrink (J. Comput. Chem., 2016)

Comparison of free-energy methods using a tripeptide-water model system. - Manuela Maurer; Niels Hansen; Chris Oostenbrink (J. Comput. Chem., 2018)

Transmembrane β-Barrel Models of α-Synuclein Oligomers. - Manuela Maurer; Themis Lazaridis (J. Chem. Inf. Model., 2023)