Markus Heinonen

Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein–Protein Binding Affinity upon Mutation

Kyle A. Barlow, Shane Ó Conchúir, Samuel Thompson et al. · The Journal of Physical Chemistry B · 2018 · 320 citations

Engineering, Bioinformatics, Biophysics +17

Metabolite identification and molecular fingerprint prediction through machine learning

Markus Heinonen, Huibin Shen, Nicola Zamboni et al. · Bioinformatics · 2012 · 201 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +15

Predicting recognition between T cell receptors and epitopes with TCRGP

Emmi Jokinen, Jani Huuhtanen, Satu Mustjoki et al. · PLoS Computational Biology · 2021 · 144 citations · Full text

Life Sciences, Immunology, Molecular Biology +16

FiD: a software for <i>ab initio</i> structural identification of product ions from tandem mass spectrometric data

Markus Heinonen, Ari Rantanen, Taneli Mielikäinen et al. · Rapid Communications in Mass Spectrometry · 2008 · 141 citations · Full text

Life Sciences, Biochemistry, Chemistry +17

Learning with multiple pairwise kernels for drug bioactivity prediction

Anna Cichońska, Tapio Pahikkala, Sándor Szedmák et al. · Bioinformatics · 2018 · 91 citations · Full text

Computing, Bioinformatics, Computational Biology +9