Mats H M Olsson

Summary

Affiliation: University of Southern California
Country: USA

Publications

  1. pmc Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 South McClintock Avenue, Los Angeles, CA 90089 1062, USA
    Philos Trans R Soc Lond B Biol Sci 361:1417-32. 2006
  2. ncbi request reprint Frozen density functional free energy simulations of redox proteins: computational studies of the reduction potential of plastocyanin and rusticyanin
    Mats H M Olsson
    Chemistry Department, University of Southern California, 3620 McClintock Avenue, SGM 418, Los Angeles, California 90089 0047, USA
    J Am Chem Soc 125:5025-39. 2003
  3. pmc Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: a general framework for examining energetics and mechanistic alternatives
    Mats H M Olsson
    University of Southern California, 3620 McClintock Avenue, Department of Chemistry, SGM 418, Los Angeles, CA 90089 1062, USA
    Biochim Biophys Acta 1767:244-60. 2007
  4. ncbi request reprint Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 McClintock Avenue, Los Angeles, California 90089 1062, USA
    Chem Rev 106:1737-56. 2006
  5. pmc Monte Carlo simulations of proton pumps: on the working principles of the biological valve that controls proton pumping in cytochrome c oxidase
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 McClintock Avenue, SGM418, Los Angeles, CA 90089 1062, USA
    Proc Natl Acad Sci U S A 103:6500-5. 2006
  6. ncbi request reprint Simulating redox coupled proton transfer in cytochrome c oxidase: looking for the proton bottleneck
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 McClintock Avenue, Los Angeles, CA 90089 1062, USA
    FEBS Lett 579:2026-34. 2005
  7. ncbi request reprint Solute solvent dynamics and energetics in enzyme catalysis: the S(N)2 reaction of dehalogenase as a general benchmark
    Mats H M Olsson
    University of Southern California, 3620 McClintock Avenue, Department of Chemistry, SGM418, Los Angeles, California 90089 1062, USA
    J Am Chem Soc 126:15167-79. 2004
  8. ncbi request reprint Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase
    Mats H M Olsson
    Chemistry Department, University of Southern California, Los Angeles, California 90089 1062, USA
    J Am Chem Soc 126:2820-8. 2004
  9. ncbi request reprint Simulating large nuclear quantum mechanical corrections in hydrogen atom transfer reactions in metalloenzymes
    Mats H M Olsson
    Chemistry Department, SGM 418, University of Southern California, 3620 McClintock Avenue, Los Angeles, CA 90089 1062, USA
    J Biol Inorg Chem 9:96-9. 2004
  10. ncbi request reprint Electrostatic basis for enzyme catalysis
    Arieh Warshel
    Department of Chemistry, University of Southern California, SGM Building 418, 3620 McClintock Avenue, Los Angeles, California 90089 1062, USA
    Chem Rev 106:3210-35. 2006

Collaborators

Detail Information

Publications12

  1. pmc Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 South McClintock Avenue, Los Angeles, CA 90089 1062, USA
    Philos Trans R Soc Lond B Biol Sci 361:1417-32. 2006
    ....
  2. ncbi request reprint Frozen density functional free energy simulations of redox proteins: computational studies of the reduction potential of plastocyanin and rusticyanin
    Mats H M Olsson
    Chemistry Department, University of Southern California, 3620 McClintock Avenue, SGM 418, Los Angeles, California 90089 0047, USA
    J Am Chem Soc 125:5025-39. 2003
    ..This electrostatic environment, which is the major effect determining the reduction potential, is a property of the entire protein and solvent system and cannot be ascribed to any particular single interaction...
  3. pmc Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: a general framework for examining energetics and mechanistic alternatives
    Mats H M Olsson
    University of Southern California, 3620 McClintock Avenue, Department of Chemistry, SGM 418, Los Angeles, CA 90089 1062, USA
    Biochim Biophys Acta 1767:244-60. 2007
    ....
  4. ncbi request reprint Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 McClintock Avenue, Los Angeles, California 90089 1062, USA
    Chem Rev 106:1737-56. 2006
  5. pmc Monte Carlo simulations of proton pumps: on the working principles of the biological valve that controls proton pumping in cytochrome c oxidase
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 McClintock Avenue, SGM418, Los Angeles, CA 90089 1062, USA
    Proc Natl Acad Sci U S A 103:6500-5. 2006
    ....
  6. ncbi request reprint Simulating redox coupled proton transfer in cytochrome c oxidase: looking for the proton bottleneck
    Mats H M Olsson
    Department of Chemistry, University of Southern California, 3620 McClintock Avenue, Los Angeles, CA 90089 1062, USA
    FEBS Lett 579:2026-34. 2005
    ..Although further studies are clearly needed, we believe that our approach offers a general and effective tool for correlating the structure of COX with its function...
  7. ncbi request reprint Solute solvent dynamics and energetics in enzyme catalysis: the S(N)2 reaction of dehalogenase as a general benchmark
    Mats H M Olsson
    University of Southern California, 3620 McClintock Avenue, Department of Chemistry, SGM418, Los Angeles, California 90089 1062, USA
    J Am Chem Soc 126:15167-79. 2004
    ..It is also shown that the effect of the difference in the relaxation time of the solvent coordinate in the enzyme and solution reaction is rather trivial relative to the effect of the corresponding changes in reorganization free energy...
  8. ncbi request reprint Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase
    Mats H M Olsson
    Chemistry Department, University of Southern California, Los Angeles, California 90089 1062, USA
    J Am Chem Soc 126:2820-8. 2004
    ..We also reached similar conclusions in studies of other enzymes...
  9. ncbi request reprint Simulating large nuclear quantum mechanical corrections in hydrogen atom transfer reactions in metalloenzymes
    Mats H M Olsson
    Chemistry Department, SGM 418, University of Southern California, 3620 McClintock Avenue, Los Angeles, CA 90089 1062, USA
    J Biol Inorg Chem 9:96-9. 2004
    ..The simulation reproduces quite well the experimental kinetic information and the corresponding difference between the classical and quantum mechanical activation free energies for the H and D transfer reactions...
  10. ncbi request reprint Electrostatic basis for enzyme catalysis
    Arieh Warshel
    Department of Chemistry, University of Southern California, SGM Building 418, 3620 McClintock Avenue, Los Angeles, California 90089 1062, USA
    Chem Rev 106:3210-35. 2006
  11. pmc A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes
    Pankaz K Sharma
    Department of Chemistry, University of Southern California, 418 SGM Building, 3620 McClintock Avenue, Los Angeles, CA 90089 1062, USA
    Proc Natl Acad Sci U S A 104:9661-6. 2007
    ..The trick used by B(12) enzymes may, in fact, be a very powerful new strategy in enzyme design...
  12. ncbi request reprint Simulation of tunneling in enzyme catalysis by combining a biased propagation approach and the quantum classical path method: application to lipoxygenase
    Janez Mavri
    National Institute of Chemistry, Hajdrihova 19, 1000 Ljubljana, Slovenia
    J Phys Chem B 112:5950-4. 2008
    ..In particular, this approach can be used to evaluate the quantum mechanical transmission factor or other dynamical effects, while still obtaining reliable quantized activation free energies due to the QCP correction...