Pekka Tiikkainen

7.5.2010
VTT Medical Biotechnology, and Institute of Biomedicine - Pharmacology, University of Turku

Study of ligand-based virtual screening tools in computer-aided drug design

Reviewers:

Dr. Anna-Marja Hoffrén, Visipoint oy, Turku, Finland

Professor Anders Karlén, Department of Medical Chemistry, University of Uppsala, Uppsala, Sweden

Opponent:

Docent Ulla Pentikäinen, Department of Biological and Environmental, Science, University of Jyväskylä, Jyväskylä, Finland

Custos:

Professor Olli Kallioniemi, VTT Medical Biotechnology and University of Turku

Publications:

  1. 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.
  2. 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.
  3. Tiikkainen, Kallioniemi o, Poso A. (submittted) visulaization and quantification of scaffold hopping with Ligand-baseed virtual screening tools.