Nils Weskamp

Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices

Mathias J. Wawer, Lisa Peltason, Nils Weskamp et al. · Journal of Medicinal Chemistry · 2008 · 153 citations

Drug Target, Interaction Network, Molecular Biology +24

Clustering of gene expression data using a local shape-based similarity measure

Rajarajeswari Balasubramaniyan, Eyke Hüllermeier, Nils Weskamp et al. · Bioinformatics · 2004 · 115 citations · Full text

From the Similarity Analysis of Protein Cavities to the Functional Classification of Protein Families Using Cavbase

Daniel Kühn, Nils Weskamp, Stefan Schmitt et al. · Journal of Molecular Biology · 2006 · 106 citations · Full text

Similarity Analysis, Biochemistry, Structural Bioinformatics +15

Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment

José Jiménez-Luna, Miha Škalič, Nils Weskamp et al. · Journal of Chemical Information and Modeling · 2021 · 85 citations · Full text

Functional Classification of Protein Kinase Binding Sites Using Cavbase

Daniel Kühn, Nils Weskamp, Eyke Hüllermeier et al. · ChemMedChem · 2007 · 77 citations

Drug Target, Signal Recognition, Molecular Biology +20