Santeri Puranen

05.03.2010
Department of Biosciences, Åbo Akademi University

Electrostatics in Molecular Modeling

Reviewers:

Professor Reijo Lahti, Department of Biochemistry and Food Chemistry, University of Turku, Turku, Finland

Docent Mikael Peräkylä, Department of Biosciences, University of Kuopio, Kuopio, Finland

Opponent:

Dr. André H. Juffer Biocenter Oulu and Department of Biochemistry, University of Oulu, Oulu, Finland

Custos:

Professor Mark S. Johnson, Department of Biosciences, Åbo Akademi University

Publications:

  1. Nymalm Y, Puranen JS, Nyholm TK, Käpylä J, Kidron H, Pentikäinen OT, Airenne TT, Heino J, Slotte JP, Johnson MS, Salminen TA. (2004) Jararhagin-derived RKKH peptides induce structural changes in alpha1I domain of human integrin alpha1beta1. J Biol Chem. Feb 27;279(9):7962-70.
  2. Vainio MJ, Puranen JS, Johnson MS. (2009) ShaEP: molecular overlay based on shape and electrostatic potential. J Chem Inf Model. Feb;49(2):492-502.
  3. Puranen JS, Vainio MJ, Johnson MS. (2010) Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery. J Comput Chem. 2009 Dec 17. [Epub ahead of print]