Kasper P. Jensen

发表

The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations

Ulf Ryde, Lubomír Rulísek, Kasper P. Jensen, 2006, J. Comput. Chem..

Performance of density functionals for first row transition metal systems.

Kasper P. Jensen, B. Roos, U. Ryde, 2007, The Journal of chemical physics.

Cobalamins uncovered by modern electronic structure calculations

Ulf Ryde, Kasper P. Jensen, U. Ryde, 2009 .

Theoretical prediction of the co-c bond strength in cobalamins.

Ulf Ryde, Kasper P. Jensen, U. Ryde, 2003 .

Erratum to “O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods” [J. Inorg. Biochem. 99(1) (2004) 45–54]

Björn O. Roos, Ulf Ryde, Kasper P. Jensen, 2005 .

Computational chemistry of modified [MFe3S4] and [M2Fe2S4] clusters: assessment of trends in electronic structure and properties.

Kasper P. Jensen, H. Christensen, B. Ooi, 2008, The journal of physical chemistry. A.

The axial N-base has minor influence on Co-C bond cleavage in cobalamins

Kasper P. Jensen, U. Ryde, 2002 .

Improved interaction potentials for charged residues in proteins.

Kasper P. Jensen, 2008, The journal of physical chemistry. B.

A comparison of the tetrapyrrole cofactors in nature and their tuning by axial ligands

Kasper P. Jensen, U. Ryde, J. Heimdal, 2008 .

Metal ion enhanced binding of AMD3100 to Asp262 in the CXCR4 receptor.

Kasper P. Jensen, T. Schwartz, J. S. Jakobsen, 2003, Biochemistry.

Semi-empirical studies of cobalamins, corrin models, and cobaloximes. The nucleotide loop does not strain the corrin ring in cobalamins

Kasper P. Jensen, K. Mikkelsen, 2001 .

Comparison of chemical properties of iron, cobalt, and nickel porphyrins, corrins, and hydrocorphins

Kasper P. Jensen, U. Ryde, 2005 .

How the Co-C bond is cleaved in coenzyme B12 enzymes: a theoretical study.

Ulf Ryde, Kasper P. Jensen, U. Ryde, 2005, Journal of the American Chemical Society.

Conversion of homocysteine to methionine by methionine synthase: a density functional study.

Kasper P. Jensen, U. Ryde, 2003, Journal of the American Chemical Society.

Comparison of the Chemical Properties of Iron and Cobalt Porphyrins and Corrins

Kasper P. Jensen, U. Ryde, 2003, Chembiochem : a European journal of chemical biology.

Peroxo-type intermediates in class I ribonucleotide reductase and related binuclear non-heme iron enzymes.

Kasper P. Jensen, E. Solomon, Michael D. Clay, 2009, Journal of the American Chemical Society.

Characterization of sodium stibogluconate by online liquid separation cell technology monitored by ICPMS and ESMS and computational chemistry.

Kasper P. Jensen, S. Hansen, C. Hansen, 2008, Analytical Chemistry.

The building blocks of metallothioneins: heterometallic Zn(2+) and Cd(2+) clusters from first-principles calculations.

Kasper P. Jensen, Martin Rykaer, 2010, Dalton transactions.

How O2 Binds to Heme

Ulf Ryde, Kasper P. Jensen, U. Ryde, 2004, Journal of Biological Chemistry.

Experimentally calibrated computational chemistry of tryptophan hydroxylase: trans influence, hydrogen-bonding, and 18-electron rule govern O2-activation.

Kasper P. Jensen, H. Christensen, L. T. Haahr, 2010, Journal of inorganic biochemistry.

Computational studies of modified [Fe3S4] clusters: why iron is optimal.

Kasper P. Jensen, 2008, Journal of inorganic biochemistry.

Iron-sulfur clusters: why iron?

Kasper P. Jensen, 2006, Journal of inorganic biochemistry.

O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods.

Ulf Ryde, Kasper P. Jensen, B. Roos, 2005, Journal of inorganic biochemistry.

Computational Studies: Chemical Evolution of Metal Sites

Kasper P. Jensen, 2009 .

Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions.

William L Jorgensen, Kasper P. Jensen, W. L. Jorgensen, 2006, Journal of chemical theory and computation.

The role of axial ligands for the structure and function of chlorophylls

Kasper P. Jensen, U. Ryde, J. Heimdal, 2006, JBIC Journal of Biological Inorganic Chemistry.

Electronic structure of Cob(I)alamin: the story of an unusual nucleophile.

Kasper P. Jensen, Kasper P Jensen, 2005, The journal of physical chemistry. B.

Accurate computation of reduction potentials of 4Fe-4S clusters indicates a carboxylate shift in Pyrococcus furiosus ferredoxin.

Kasper P. Jensen, H. Christensen, B. Ooi, 2007, Inorganic chemistry.

Accurate computed enthalpies of spin crossover in iron and cobalt complexes.

Kasper P. Jensen, J. Cirera, 2009, The journal of physical chemistry. A.

Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion.

Anastassia N Alexandrova, William L Jorgensen, Kasper P. Jensen, 2007, Journal of chemical theory and computation.

Bioinorganic chemistry modeled with the TPSSh density functional.

Kasper P. Jensen, Kasper P Jensen, 2008, Inorganic chemistry.

The allyl radical revisited: a theoretical study of the electronic spectrum

Kasper P. Jensen, B. Roos, F. Aquilante, 2003 .

Peroxo-type intermediates in class I ribonucleotide reductase and related binuclear non-heme iron enzymes.

Kasper P. Jensen, E. Solomon, Michael D. Clay, 2009, Journal of the American Chemical Society.

The building blocks of metallothioneins: heterometallic Zn(2+) and Cd(2+) clusters from first-principles calculations.

Kasper P. Jensen, Martin Rykaer, 2010, Dalton transactions.

Metal-ligand bonds of second- and third-row d-block metals characterized by density functional theory.

Kasper P. Jensen, 2009, Journal of Physical Chemistry A.