Søren Balling Engelsen

Søren Balling Engelsen

Professor


  1. 1997
  2. Published

    The ¤consistent force field. 5. PEF95SAC: optimized potential energy function for alcohols and carbohydrates

    Fabricius, J., Engelsen, Søren Balling & Rasmussen, K., 1997, In: Journal of Carbohydrate Chemistry. 16, 6, p. 751-772 22 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. 1996
  4. Published

    Comparative vibrational spectroscopy for determination of quality parameters in amidated pectins as evaluated by chemometrics

    Engelsen, Søren Balling & Nørgaard, L., May 1996, In: Carbohydrate Polymers. 30, 1, p. 9-24 16 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    A ¤molecular builder for carbohydrates: application to polysaccharides and complex carbohydrates

    Engelsen, Søren Balling, Cros, S., Mackie, W. & Pérez, S., 1996, In: Biopolymers. 39, p. 417-433 17 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. Published

    Modeling polysaccharides: present status and challenges

    Pérez, S., Kouwijzer, M., Mazeau, K. & Engelsen, Søren Balling, 1996, In: Journal of Molecular Graphics and Modelling. 14, p. 307-321 17 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. Published

    Quantitative vibrational spectroscopy on pectins: prediction of the degree of esterification by chemometrics

    Engelsen, Søren Balling & Nørgaard, L., 1996, Ikke angivet. Visser, J. & Voragen, A. G. J. (eds.). Elsevier, p. 541-548 8 p.

    Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearch

  8. Published

    The ¤hydration of sucrose

    Engelsen, Søren Balling & Pérez, S., 1996, In: Carbohydrate Research. 292, p. 21-38 18 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. 1995
  10. Internal motions of carbohydrates as probed by comparative molecular modeling and nuclear magnetic resonance of ethyl P-lactoside

    Engelsen, Søren Balling, Pérez, S., Braccini, I. & du Penhoat, C. H., 1995, In: Journal of Computational Chemistry. 16, 9, p. 1096-1119 24 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  11. Molecular relaxation of sucrose in aqueous solution: how a nanosecond molecular dynamics simulation helps to reconcile NMR data

    Engelsen, Søren Balling, du Penhoat, C. H. & Pérez, S., 1995, In: Journal of Physical Chemistry. 99, 36, p. 13334-13351 18 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. The consistent force field: 4. An optimized set of potential energy functions for aliphatic and alicyclic ethers and anomeric carbon atoms

    Fabricius, J., Engelsen, Søren Balling & Rasmussen, K., 1995, In: New Journal of Chemistry. 19, 11, p. 1123-1137 15 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  13. Travelling on the potential energy surfaces of carbohydrates: comparative application of an exhaustive systematic conformational search with an heuristic search

    Engelsen, Søren Balling, Koca, J., Braccini, I., du Penhoat, C. H. & Pérez, S., 1995, In: Carbohydrate Research. 276, 1, p. 1-29 29 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. 1994
  15. Crystal structure and molecular mechanics analysis of methyl 6-O- (N-heptylcarbamoyl) –a Dglucopyranoside (HECAMEG)

    Engelsen, Søren Balling, Pérez, S., Toupet, L. & Plusquellec, D., 1994, In: Carbohydrate Research. 264, 2, p. 161-171 11 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  16. Interactive graphical optimization of potential energy function parameters in the consistent force field

    Engelsen, Søren Balling, Fabricius, J. & Rasmussen, K., 1994, In: C A Selects. Computers in Chemistry. 18, 4, p. 397-403 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. Simulations of the Aqueous Solvation of Trilaurin

    Engelsen, Søren Balling, Brady, J. W. & Sherbon, J. W., 1994, In: Journal of Agricultural and Food Chemistry. 42, 10, p. 2099-2107 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  18. The consistent force field: 1. Methods and strategies for optimization of empiral potential energy functions

    Engelsen, Søren Balling, Fabricius, J. & Rasmussen, K., 1994, In: Acta Chemica Scandinavia. 48, p. 548-552 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  19. The consistent force field: 2. An optimized set of potential energy functions for the Alkanes

    Engelsen, Søren Balling, Fabricius, J. & Rasmussen, K., 1994, In: Acta Chemica Scandinavia. 48, p. 553-565 13 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. 1993
  21. Conformations of disaccharides by empirical force field calculations.

    Engelsen, Søren Balling & Rasmussen, K., 1993, In: International journal of biological macromol. 15, 1, p. 56-62 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  22. Experimental and computational projects on molecular spectroscopy

    Engelsen, Søren Balling, Fabricius, J., Peterson, M., Ribeiro-Claro, P. J. A. & Whitaker, B. J., 1993, Recent experimental and computational advances in molecular spectroscopy: proceedings of the NATO advanced study institute on Molecular Spectroscopy, Portugal 1992. Fausto, R. (ed.). Kluwer Academic Publishers, p. 421-429 9 p. (NATO ASI Series C: Mathematical and Physical Sciences, Vol. 406).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  23. The consistent force field: development of potential energy functions for conformationale analysis

    Rasmussen, K., Engelsen, Søren Balling, Fabricius, J. & Rasmussen, B., 1993, Recent experimental and computational advances in molecular spectroscopy: proceedings of the NATO advanced study institute on Molecular Spectroscopy, Portugal 1992. Fausto, R. (ed.). Kluwer Academic Publishers, p. 381-419 39 p. (NATO ASI Series C: Mathematical and Physical Sciences, Vol. 406).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

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