Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site. - Daniel Cappel; Rickard Wahlström; Ruth Brenk; Christoph A. Sotriffer (J. Chem. Inf. Model., 2011)

DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set. - Agata Krasowski; Daniel Muthas; Aurijit Sarkar; Stefan Schmitt; Ruth Brenk (J. Chem. Inf. Model., 2011)

Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening Library. - N. Yi Mok; Ruth Brenk (J. Chem. Inf. Model., 2011)

Locating Sweet Spots for Screening Hits and Evaluating Pan-Assay Interference Filters from the Performance Analysis of Two Lead-like Libraries. - N. Yi Mok; Sara Maxe; Ruth Brenk (J. Chem. Inf. Model., 2013)

Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening. - N. Yi Mok; Ruth Brenk; Nathan Brown (J. Chem. Inf. Model., 2014)

DrugPred_RNA - A Tool for Structure-Based Druggability Predictions for RNA Binding Sites. - Illimar Hugo Rekand; Ruth Brenk (J. Chem. Inf. Model., 2021)

Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3. - Parveen Gartan; Fahimeh Khorsand; Pushpak Mizar; Juha Ilmari Vahokovski; Luis F. Cervantes; Bengt Erik Haug; Ruth Brenk; Charles L. Brooks III; Nathalie Reuter (J. Chem. Inf. Model., 2024)

Assessing small molecule conformational sampling methods in molecular docking. - Qiancheng Xia; Qiuyu Fu; Cheng Shen; Ruth Brenk; Niu Huang (J. Comput. Chem., 2025)