VTT Medical Biotechnology, and Institute of Biomedicine - Pharmacology, University of Turku
Study of ligand-based virtual screening tools in computer-aided drug design
Dr. Anna-Marja Hoffrén, Visipoint oy, Turku, Finland
Professor Anders Karlén, Department of Medical Chemistry, University of Uppsala, Uppsala, Sweden
Docent Ulla Pentikäinen, Department of Biological and Environmental, Science, University of Jyväskylä, Jyväskylä, Finland
Professor Olli Kallioniemi, VTT Medical Biotechnology and University of Turku
- Tiikkainen P, Poso A & Kallioniemi O. (2009) Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens. J Comput Aided Mol Des. Apr;23(4):227-39.
- Tiikkainen P, Markt P, Wolber G, Kirchmair J, Distinto S, Poso A & Kallioniemi O (2009) Critical comparison of virtual screening methods against the MUV data set. J Chem Inf Model. Oct;49(10):2168-78.
- Tiikkainen, Kallioniemi o, Poso A. (submittted) visulaization and quantification of scaffold hopping with Ligand-baseed virtual screening tools.