Jan Halborg Jensen
Professor
- 2007
- Published
FTIR Spectroscopy Combined with Quantum Chemical Calculations to Investigate Adsorbed Nitrate on Aluminum Oxide Surfaces in the Presence and Absence of Co-Adsorbed Water
Baltrusaitis, J., Schuttlefield, J. D., Jensen, Jan Halborg & Grassian, V. H., 2007, In: Physical Chemistry Chemical Physics. 9, p. 4970-4981Research output: Contribution to journal › Journal article › Research › peer-review
- Published
PDB2PQR: Expanding and upgrading automated preparation of biomolecular structures for molecular simulations
Dolinsky, T. J., Czodrowski, P., Li, H., Jensen, Jan Halborg, Nielsen, J., Klebe, G. & Baker, N. A., 2007, In: Nucleic Acids Research. 35, p. W522-W525Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Prediction and rationalization of the pH-dependence of activity and stability of family 11 xylanases
Kongsted, J., Ryde, U., Wydra, J. & Jensen, Jan Halborg, 2007, In: Biochemistry. 46, p. 13581-13592Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Sugar folding: A novel structural prediction tool for oligosaccharides and polysaccharides I
Xia, J., Daly, R. P., Chuang, F., Parker, L. L., Jensen, Jan Halborg & Margulis, C. J., 2007, In: Journal of Chemical Theory and Computation. 3, p. 1620-1628Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Sugar folding: A novel structural prediction tool for oligosaccharides and polysaccharides II
Xia, J., Daly, R. P., Chuang, F., Parker, L. L., Jensen, Jan Halborg & Margulis, C. J., 2007, In: Journal of Chemical Theory and Computation. 3, p. 1629-1643Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Surface Reactions of Carbon Dioxide at the Adsorbed Water – Oxide Interface
Baltrusaitis, J., Schuttlefield, J. D., Zeitler, E., Jensen, Jan Halborg & Grassian, V. H., 2007, In: Journal of Physical Chemistry C. 111, p. 14870-14880Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The effective fragment potential: a general method for predicting intermolecular interactions
Gordon, M. S., Slipchenko, L., Li, H. & Jensen, Jan Halborg, 2007, Annual Reports in Computational Chemistry. Spellmeyer, D. C. & Wheeler, R. A. (eds.). Elsevier, Vol. 3. p. 177-193Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research
- 2008
- Published
Calculating pH and salt dependence of protein-protein binding
Jensen, Jan Halborg, 2008, In: Current Pharmaceutical Biotechnology. 9, p. 96-102Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Covalent bond fragmentation suitable to describe surfaces in the fragment molecular orbital method
Fedorov, D. G., Deka, R. C., Kitaura, K. & Jensen, Jan Halborg, 2008, In: Journal of Physical Chemistry A. 112, p. 11808–11816Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Protein – Protein Binding is Often Associated With Changes in Protonation State
Mason, A. C. & Jensen, Jan Halborg, 2008, In: Proteins - Structure Function and Bioinformatics. 71, 1, p. 81-91Research output: Contribution to journal › Journal article › Research › peer-review
ID: 4057
Most downloads
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2311
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Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
1767
downloads
BioFET-SIM web interface: implementation and two applications
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
1658
downloads
A computational method for the systematic screening of reaction barriers in enzymes: searching for Bacillus circulans xylanase mutants with greater activity towards a synthetic substrate
Research output: Contribution to journal › Journal article › Research › peer-review
Published