Mikael P Johansson

Summary

Affiliation: University of Helsinki
Country: Finland

Publications

  1. ncbi request reprint The spin distribution in low-spin iron porphyrins
    Mikael P Johansson
    Department of Chemistry, P O Box 55 FIN 00014, University of Helsinki, Finland
    J Am Chem Soc 124:11771-80. 2002
  2. ncbi request reprint Spin and charge distribution in iron porphyrin models: a coupled cluster and density-functional study
    Mikael P Johansson
    Department of Chemistry, P O Box 55 A I Virtanens Plats 1, FIN 00014 University of Helsinki, Finland
    J Chem Phys 120:3229-36. 2004
  3. pmc Interheme electron tunneling in cytochrome c oxidase
    Ville R I Kaila
    Helsinki Bioenergetics Group, Structural Biology and Biophysics Programme, Institute of Biotechnology, University of Helsinki, PO Box 65, FI 00014 Helsinki, Finland
    Proc Natl Acad Sci U S A 107:21470-5. 2010
  4. ncbi request reprint The chemistry of the CuB site in cytochrome c oxidase and the importance of its unique His-Tyr bond
    Ville R I Kaila
    Helsinki Bioenergetics Group, Programme of Structural Biology and Biophysics, Institute of Biotechnology, University of Helsinki, Helsinki, Finland
    Biochim Biophys Acta 1787:221-33. 2009
  5. ncbi request reprint Charge parameterization of the metal centers in cytochrome c oxidase
    Mikael P Johansson
    Department of Chemistry, University of Helsinki, P O Box 55, FI 00014 Helsinki, Finland
    J Comput Chem 29:753-67. 2008
  6. doi request reprint Ab initio, density functional theory, and semi-empirical calculations
    Mikael P Johansson
    Department of Chemistry, University of Helsinki, Helsinki, Finland
    Methods Mol Biol 924:3-27. 2013
  7. ncbi request reprint WAu12(CO)12?
    Mikael P Johansson
    Laboratory for Instruction in Swedish, Department of Chemistry, University of Helsinki, P O Box 55, FI 00014 Helsinki, Finland
    Chem Commun (Camb) 46:3762-4. 2010
  8. doi request reprint Autoxidation of conjugated linoleic acid methyl ester in the presence of alpha-tocopherol: the hydroperoxide pathway
    Taina I Pajunen
    Department of Chemistry, University of Helsinki, A I Virtasen Aukio 1, Helsinki, 00014, Finland
    Lipids 43:599-610. 2008
  9. ncbi request reprint Change in electron and spin density upon electron transfer to haem
    Mikael P Johansson
    Department of Chemistry, P O Box 55 A I Virtanens Plats 1, University of Helsinki, FIN 00014, Helsinki, Finland
    Biochim Biophys Acta 1553:183-7. 2002
  10. doi request reprint Coupled-cluster and density functional theory studies of the electronic excitation spectra of trans-1,3-butadiene and trans-2-propeniminium
    Olli Lehtonen
    Department of Chemistry, University of Helsinki, POB 55 A I Virtanens plats 1, Helsinki FIN 00014, Finland
    J Chem Phys 131:024301. 2009

Collaborators

Detail Information

Publications11

  1. ncbi request reprint The spin distribution in low-spin iron porphyrins
    Mikael P Johansson
    Department of Chemistry, P O Box 55 FIN 00014, University of Helsinki, Finland
    J Am Chem Soc 124:11771-80. 2002
    ..3 electrons. It seems that the degree to which alpha and beta spin dominate in different regions of the heme structure, as evidenced in these calculations, has not been previously observed...
  2. ncbi request reprint Spin and charge distribution in iron porphyrin models: a coupled cluster and density-functional study
    Mikael P Johansson
    Department of Chemistry, P O Box 55 A I Virtanens Plats 1, FIN 00014 University of Helsinki, Finland
    J Chem Phys 120:3229-36. 2004
    ..Slight differences in the descriptions are noted and discussed...
  3. pmc Interheme electron tunneling in cytochrome c oxidase
    Ville R I Kaila
    Helsinki Bioenergetics Group, Structural Biology and Biophysics Programme, Institute of Biotechnology, University of Helsinki, PO Box 65, FI 00014 Helsinki, Finland
    Proc Natl Acad Sci U S A 107:21470-5. 2010
    ..We argue that this modification may be necessary at short donor/acceptor distances comparable to the donor/acceptor radii...
  4. ncbi request reprint The chemistry of the CuB site in cytochrome c oxidase and the importance of its unique His-Tyr bond
    Ville R I Kaila
    Helsinki Bioenergetics Group, Programme of Structural Biology and Biophysics, Institute of Biotechnology, University of Helsinki, Helsinki, Finland
    Biochim Biophys Acta 1787:221-33. 2009
    ..The combined results provide an explanation for why the heme-copper oxidases need two pathways of proton uptake, and why the K-pathway is active only in the second half of the reaction cycle...
  5. ncbi request reprint Charge parameterization of the metal centers in cytochrome c oxidase
    Mikael P Johansson
    Department of Chemistry, University of Helsinki, P O Box 55, FI 00014 Helsinki, Finland
    J Comput Chem 29:753-67. 2008
    ..Several relevant charge and ligand states are considered. Charges for two different force fields, CHARMM and AMBER, are presented...
  6. doi request reprint Ab initio, density functional theory, and semi-empirical calculations
    Mikael P Johansson
    Department of Chemistry, University of Helsinki, Helsinki, Finland
    Methods Mol Biol 924:3-27. 2013
    ..We start by presenting ab initio methods, followed by a treatment of density functional theory (DFT) and some recent advances in semi-empirical methods. Treatment of excited states as well as basis sets are also presented...
  7. ncbi request reprint WAu12(CO)12?
    Mikael P Johansson
    Laboratory for Instruction in Swedish, Department of Chemistry, University of Helsinki, P O Box 55, FI 00014 Helsinki, Finland
    Chem Commun (Camb) 46:3762-4. 2010
    ..The symmetry remains I(h) and the binding energy per carbonyl is about 100 kJ mol(-1) up to the last one...
  8. doi request reprint Autoxidation of conjugated linoleic acid methyl ester in the presence of alpha-tocopherol: the hydroperoxide pathway
    Taina I Pajunen
    Department of Chemistry, University of Helsinki, A I Virtasen Aukio 1, Helsinki, 00014, Finland
    Lipids 43:599-610. 2008
    ..As a result, a better understanding of the isomeric distribution of the product hydroperoxides was achieved and a modified mechanism that accounts for these calculations is presented...
  9. ncbi request reprint Change in electron and spin density upon electron transfer to haem
    Mikael P Johansson
    Department of Chemistry, P O Box 55 A I Virtanens Plats 1, University of Helsinki, FIN 00014, Helsinki, Finland
    Biochim Biophys Acta 1553:183-7. 2002
    ..The lost individuality of the electron added to the haem on reduction is another example of the importance of quantum mechanical effects in biological systems...
  10. doi request reprint Coupled-cluster and density functional theory studies of the electronic excitation spectra of trans-1,3-butadiene and trans-2-propeniminium
    Olli Lehtonen
    Department of Chemistry, University of Helsinki, POB 55 A I Virtanens plats 1, Helsinki FIN 00014, Finland
    J Chem Phys 131:024301. 2009
    ..The results also demonstrate that standard density functionals are not capable of providing excitation energies of sufficient accuracy for experimental assignments...
  11. pmc Nanosecond electron tunneling between the hemes in cytochrome bo3
    Audrius Jasaitis
    Laboratoire d Optique et Biosciences, Centre National de la Recherche Scientifique, Ecole Polytechnique, 91128 Palaiseau, France
    Proc Natl Acad Sci U S A 104:20811-4. 2007
    ..The properties of eT between the closely lying heme groups in the heme-copper oxidases are discussed in terms of the reorganization energy for the process, and two methods for assessing the rate of electron tunneling are presented...