CV

Kasper Planeta Jensen, Ph.D.

Stanford University

Department of Chemistry

Mudd Building, 333 Campus Drive

Stanford, CA 94305-5080, U.S.A.

E-mail: kpj@stanford.edu

Born 1975 in Copenhagen, Denmark. Citizenship: Danish

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09.2007 to 12.2007 Visiting Scientist, Stanford University, Prof. Edward Solomon.

01.2007 to 12.2008 VKR postdoctoral fellow, DTU, with Prof. Hans E. M. CHristensen.

01.2005 to 12.2006 EMBO postdoctoral fellow, Yale University, with Prof. William L. Jorgensen.

11.2000 to 11.2004 Ph.D., Lund University, with Prof. Ulf Ryde.

09.1997 to 10.2000 M.Sc. in chemistry, Copenhagen University. Grades: Topic 13. Thesis 13.

09.1994 to 07.1997 B.Sc. in physics, B.Sc. in chemistry, Roskilde University (RUC).

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Awards and Grants

1. Copenhagen University Grant, 1999. 4000 DKr.

2. Novo Nordisk 2000 Scolarship Award, 63000 DKr.

3. Royal Physiographic Society of Sweden Young Researcher's Travel Grant 2003.

4. European Molecular Biology Organization (EMBO) Long Term Fellowship, 2005-2006.

5. Excellence in Science Award, American Academy for the Advancement of Science 2005.

6. Villum-Kann Rasmussen 2-Year Fellowship 2007-2008.

7. Grant from the Danish Center for Scientific Computing, 2007, 100000 Dkr.

8. Stanford visiting scientist Grant from the Danish Research Council, 2007, 48600 Dkr.

9. Danish Chemical Society Travel Grant ICBIC-13, Vienna July 2007, 7000 DKr.

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Research Experience

Computational biochemistry, including QM/MM, force field parameterization, free energy perturbation,

Monte Carlo, DFT, ab inito QM. Proteins studied include: Factor Xa, B12-dependent enzymes, heme proteins (P450).

Boards and organizations

1. Board member of LUNARC, Center for Scientific and Technical Computing in Lund, 2002-2003.

2. President of the Nordic Society at Yale in 2005.

Professional Duties

1. Refereeing papers for

- J. Am. Chem. Soc.

- J. Phys. Chem. B

- J. Chem. Theory Comput.

- Eur. J. Inorg. Chem.

2. Member of Local Organizing Committee of the QBIC-2 conference in Orenas, July 27-29 2000.

3. Member of Local Organizing Committee of EUROBIC-6 in Lund July 30-August 2, 2002.

4. Member of

- the American Association for the Advancement of Science

- the American Chemical Society

- the Danish Chemical Society

- IUPAC

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References

1. Professor Ulf Ryde, Department of Theoretical Chemistry, Lund University. E-mail: ulf.ryde@teokem.lu.se

2. Professor William L. Jorgensen, Department of Chemistry, Yale University. E-mail: william.jorgensen@yale.edu

3. Professor Bjorn O. Roos, Department of Theoretical Chemistry, Lund University. E-mail: bjorn.roos@teokem.lu.se

4. Professor Hans E. M. Christensen, Department of Chemistry, Technical University of Denmark, E-mail: hemc@kemi.dtu.dk

5. Professor Johan Åqvist, Department of Cell and Molecular Biology, Uppsala University. E-mail: aqvist@xray.bmc.uu.se

6. Professor Per-Ola Norrby, Department of Chemistry, Chalmers Technical University. E-mail: pon@chem.gu.se

Publications in Peer-Reviewed Journals

24 original articles in peer-reviewed international journals.

18 as first-author and 8 as corresponding author; among these 4 as single-author.

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Publications

1. K. P. Jensen, S. P. A. Sauer, T. Liljefors, P.-O. Norrby*, "Theoretical investigation of steric and electronic effects in coenzyme B12 models", Organometallics 2001, 20(3), 550-556.

2. K. P. Jensen*, K. V. Mikkelsen, "Semi-empirical studies of cobalamins, corrin models, and cobaloximes. The nucleotide loop does not strain the corrin ring", Inorganica Chimica Acta 2001, 323(1-2), 5-15.

3. K. P. Jensen, U. Ryde*, "The axial N-Base is not important for Co-C bond cleavage in cobalamins", J. Mol. Struct. (Theochem) 2002, 585, 239-255.

4. L. O. Gerlach, J. S. Jacobsen, K. P. Jensen, M. R. Rosenkilde, R. T. Skerlj, U. Ryde, G. J. Bridger, T. W. Schwartz*, "Metal-ion enhanced ligand binding of AMD3100 to the CXCR4 receptor", Biochemistry 2003, 42, 710-717.

5. K. P. Jensen, U. Ryde*, "Comparison of the chemical properties of iron and cobalt porphyrins and corrins", ChemBioChem 2003, 4, 413-424.

6. K. P. Jensen, U. Ryde*, "Theoretical prediction of the Co-C bond strength in cobalamins", J. Phys. Chem B. 2003, 107(38), 7539-7545.

7. K. P. Jensen, U. Ryde*, "Importance of proximal hydrogen bonds in haem proteins", Mol. Phys. 2003, 13, 2003-2018.

8. F. Aquilante*, K. P. Jensen, B. O. Roos, "The allyl radical revisited. Complete electronic spectrum from multiconfigurational second order perturbation theory", Chem. Phys. Lett. 2003, 380(5-6), 689-698.

9. K. P. Jensen, U. Ryde*, "Conversion of Homocysteine to Methionine by Methionine Synthase: A Density Functional Study", J. Am. Chem. Soc. 2003, 125(46); 13970-13971.

10. K. P. Jensen, U. Ryde*, "How heme binds O2: Reasons for reversible binding and spin inversion", J. Biol. Chem. 2004, 279, 14561-14569.

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11a. K. P. Jensen*, B. O. Roos, U. Ryde, "O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods", Journal of Inorganic Biochemistry 2005, 99, 45–54.

11b. Erratum: K. P. Jensen, B. O. Roos, U. Ryde, Journal of Inorganic Biochemistry 2005, 99, 978.

12. K. P. Jensen*, "The electronic structure of Cob(I)alamin: The story of an unusual nucleophile", J. Phys. Chem. B 2005, 109(20); 10505-10512.

13. K. P. Jensen, U. Ryde*, "How the Co-C bond is cleaved in B12 enzymes: A theoretical study", J. Am. Chem. Soc. 2005, 127, 9117-9128.

14. K. P. Jensen, U. Ryde*, "Chemical properties of tetrapyrrole systems with Fe, Co, and Ni", J. Porph. Phtalocyan. 2005, 9, 581-606.

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15. L. Rulisek, K. P. Jensen, K. Lundgren, U. Ryde*, "The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations", J. Comp. Chem. 2006, 27, 1398–1414.

16. K. P. Jensen*, "Iron-Sulfur clusters: Why iron?", J. Inorg. Biochem. 2006, 100, 1436-1439.

17. K. P. Jensen, W. L. Jorgensen*, "Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions, J. Chem. Theory. Comput. 2006, 2, 1499-1509.

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18. J. Heimdal, K. P. Jensen, A. Devarajan, U. Ryde*, "The role of axial ligands for the structure and function of chlorophylls", J. Biol. Inorg. Chem. 2007, 12, 49-61.

19. K. P. Jensen*, B. O. Roos, U. Ryde, "Performance of Density Functionals for First Row Transition Metals", J. Chem. Phys. 2007, 126, 014103.

20. K. P. Jensen*, "Computational studies of modified [Fe3S4] clusters: Why iron is optimal", J. Inorg. Biochem. 2007, in press.

21. K. P. Jensen*, B. L. Ooi, H. E. M. Christensen, "Accurate Computation of Reduction Potentials of 4Fe-4S Clusters Indicates a Carboxylate Shift in P. furiosus Ferredoxin", Inorg. Chem. 2007, 46, 8710-8716.

22. W. L. Jorgensen*, K. P. Jensen, A. N. Alexandrova, "Polarization Effect for Hydrogen-Bonded Complexes of Substituted Phenols with Water", J. Chem. Theor. Comput. 2007, 3, 1987 - 1992.

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23. K. P. Jensen*,"Improved Interaction Potentials for Charged Residues in Proteins", J. Phys. Chem. B 2008, accepted.

24. K. P. Jensen, P. Rydberg, U. Ryde*, "A Comparison of Tetrapyrrole Cofactors in Nature and their Tuning by Axial Ligands ", in: "Computational Modeling for Homogenous and Enzymatic Catalysis". Ed. D. G. Musaev and K. Morokuma, Wiley-VCH Verlag GmbH & Co. 2008, in press.

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Scientific Presentations

09.1999 talk at the QM/MM meeting in Copenhagen: HC Örsted Institute, Copenhagen.

10.2000 poster at the conference Electron Structure: Predictions and Applications: San Sebastian, Spain

01.2001 talk at the NOVO NORDISK 2000 Scholarship symposium: Bagsvärd, Denmark.

02.2001 talk at the Quantum Biology Symposium: Lund University.

09.2001 poster at the European Summer School in Quantum Chemistry 2001: Tjörnap, Scania.

10.2001 poster at the Drug Design Copenhagen 2001 two-day symposium in honor of prof. T. Liljefors.

11.2001 talk at the Theoretical Chemistry Department Tuesday Symposium: Lund, Sweden.

12.2001 talk at the Institute of Chemistry Ph.D. Symposium, SAS Hotel, Copenhagen, Denmark.

04.2002 talk at the Quantum Biology Symposium: Uppsala University, Uppsala, Sweden.

05.2002 poster at the "Metals in Biological Systems" FEBS/EU course: Louvain-la-Neuve, Belgium.

07.2002 poster at the Quantum BioInorganic Chemistry 2 Conference: Örenäs Castle, Helsingborg.

08.2002 poster at the 6th European Bioinorganic Chemistry Conference (EUROBIC-6): Lund University.

04.2003 poster at the Faraday Discussion 124 meeting in York, UK.

07.2003 poster at the Cobalamin Gordon Research Conference in Waterville, Maine, US.

10.2003 talk at the Theoretical Chemistry Department Tuesday Symposium: Lund, Sweden.

11.2003 poster at the Swedish Theoretical Chemistry Conference in Lund, Sweden.

04.2004 overview of my work for the EMBO representative in Oxford.

07.2004 poster at the EMBO modeling course in Paris.

08.2004 poster at the EUROBIC7 conference in Garmisch Partenkirchen, Germany.

10.2004 Ph.D public defense, KemiCentrum, Lund, Sweden.

04.2005 poster at the W. L. Jorgensen Symposium. 30 Years in the Trenches, Yale, USA.

11.2006 talk, EMBO Meeting USA, La Jolla, CA, USA.

03.2007 talk at Lund University, Sweden.

04.2007 talk at Copenhagen University, Denmark.

06.2007 talk at EMBL, EMBO fellows meeting, Heidelberg, Germany.

07.2007 Poster at Vienna University, ICBIC-13, Austria.

11.2007 talk at Stanford University, Solomon Group.