Jan Halborg Jensen
Professor
ORCID: 0000-0002-1465-1010
1 - 2 out of 2Page size: 10
- 2009
- Published
Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method
Fedorov, D. G., Avramov, P. V., Jensen, Jan Halborg & Kitaura, K., 2009, In: Chemical Physics Letters. 477, 1-3, p. 169-175 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Calculations of Reduction Potentials and pKa Values
Li, H. & Jensen, Jan Halborg, 2009, Computational Inorganic and Bioinorganic Chemistry. Solomon, E. I., Scott, R. A. & King, R. B. (eds.). Wiley, p. 109-122 14 p.Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research
ID: 4057
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2329
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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
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1776
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BioFET-SIM web interface: implementation and two applications
Research output: Contribution to journal › Journal article › Research › peer-review
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1664
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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