Jochen Blumberger

Summary

Affiliation: University of Cambridge
Country: UK

Publications

  1. doi request reprint Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment
    Jochen Blumberger
    Department of Chemistry, University of Cambridge, Cambridge, UK
    Phys Chem Chem Phys 10:5651-67. 2008
  2. doi request reprint Kinetics of the terminal electron transfer step in cytochrome c oxidase
    Varomyalin Tipmanee
    Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
    J Phys Chem B 116:1876-83. 2012
  3. doi request reprint Prediction of reorganization free energies for biological electron transfer: a comparative study of Ru-modified cytochromes and a 4-helix bundle protein
    Varomyalin Tipmanee
    Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
    J Am Chem Soc 132:17032-40. 2010
  4. ncbi request reprint Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set
    Harald Oberhofer
    Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom
    J Chem Phys 133:244105. 2010

Collaborators

  • Kwang S Kim
  • Varomyalin Tipmanee
  • Harald Oberhofer
  • Mina Park

Detail Information

Publications4

  1. doi request reprint Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment
    Jochen Blumberger
    Department of Chemistry, University of Cambridge, Cambridge, UK
    Phys Chem Chem Phys 10:5651-67. 2008
    ..Several modeling aspects which are important for successful calculation of free energies with QM/MM are discussed in detail...
  2. doi request reprint Kinetics of the terminal electron transfer step in cytochrome c oxidase
    Varomyalin Tipmanee
    Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
    J Phys Chem B 116:1876-83. 2012
    ..We show that our results are consistent with the weak temperature dependence observed in experiment if one allows for very minor variations in the donor-acceptor distance as the temperature changes...
  3. doi request reprint Prediction of reorganization free energies for biological electron transfer: a comparative study of Ru-modified cytochromes and a 4-helix bundle protein
    Varomyalin Tipmanee
    Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
    J Am Chem Soc 132:17032-40. 2010
    ..They suggest that reorganization free energy may in general not be effectively controlled by single point mutations, but to a large extent by the degree of solvent exposure of the ionizable cofactors...
  4. ncbi request reprint Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set
    Harald Oberhofer
    Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom
    J Chem Phys 133:244105. 2010
    ..9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level...