Toni Rönkkö
University of Eastern Finland(FI)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Medical Image Segmentation Techniques, Metal complexes synthesis and properties, Pharmacogenetics and Drug Metabolism
Most-Cited Works
- → Comparing the Quality and Predictiveness between 3D QSAR Models Obtained from Manual and Automated Alignment(2004)38 cited
- → BRUTUS: Optimization of a Grid-Based Similarity Function for Rigid-Body Molecular Superposition. 1. Alignment and Virtual Screening Applications(2005)37 cited
- → Insights into Ligand-Elicited Activation of Human Constitutive Androstane Receptor Based on Novel Agonists and Three-Dimensional Quantitative Structure−Activity Relationship(2008)36 cited
- → A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods(2003)33 cited
- → BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization(2006)21 cited
- → FieldChopper, A New Tool for Automatic Model Generation and Virtual Screening Based on Molecular Fields(2008)3 cited
- → Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases(2010)
- → Increasing the Throughput of Shape‐Based Virtual Screening with GPU Processing and Single Conformation Databases(2010)