Lina Humbeck

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 4

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of cheminformatics

Molecules (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Lina Humbeck, Tobias Morawietz, Noe Sturm, Adam Zalewski, Simon Emanuel Harnqvist, Wouter Heyndrickx, Matthew Holmes, Bernd Beck
Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models. Molecules (Basel, Switzerland) 26 (22) (2021)
Lina Humbeck, Sebastian Weigang, Till Schäfer, Petra Mutzel, Oliver Koch
CHIPMUNK: A Virtual Synthesizable Small-Molecule Library for Medicinal Chemistry, Exploitable for Protein-Protein Interaction Modulators. ChemMedChem 13 (6) (2018)
Julia B Jasper, Lina Humbeck, Tobias Brinkjost, Oliver Koch
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening. Journal of cheminformatics 10 (1) (2018)
Till Schäfer, Nils M Kriege, Lina Humbeck, Karsten Klein, Oliver Koch, Petra Mutzel
Scaffold Hunter: a comprehensive visual analytics framework for drug discovery. Journal of cheminformatics 9 (1) (2017)