Jan Halborg Jensen
Professor
ORCID: 0000-0002-1465-1010
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- 2024
- Published
Automated quantum chemistry for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and covalent inhibitors
Ree, Nicolai, Göller, A. H. & Jensen, Jan Halborg, 2024, In: Digital Discovery. 3, 2, p. 347-354 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 4057
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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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1766
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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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1658
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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