Jan Halborg Jensen
Professor
ORCID: 0000-0002-1465-1010
1 - 3 out of 3Page size: 10
- 2017
- Published
Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods
Christensen, A. S., Kromann, J. C., Jensen, Jan Halborg & Cui, Q., 2017, In: Journal of Chemical Physics. 147, 16, 8 p., 161704.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Prediction of pKa values for druglike molecules using semiempirical quantum chemical methods
Jensen, Jan Halborg, Swain, C. J. & Olsen, L., 2017, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 121, 3, p. 699-707 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Protein structure refinement using a quantum mechanics-based chemical shielding predictor
Bratholm, L. A. & Jensen, Jan Halborg, 2017, In: Chemical Science. 8, 3, p. 2061-2072 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
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