Thomas Wim Hamelryck

Thomas Wim Hamelryck

Professor


  1. 2024
  2. Published

    AI Implementation and Capability Development in Manufacturing: An Action Research Case

    Eklöf, Jon, Snis, U. L., Hamelryck, Thomas Wim, Grima, A. & Rønning, Ola, 2024, Proceedings of the 57th Hawaii International Conference on System Sciences - HICSS 2024. Hawaii International Conference on System Sciences, 10 p.

    Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

  3. Accepted/In press

    Abstraction, mimesis and the evolution of deep learning

    Eklöf, Jon, Hamelryck, Thomas Wim, Last, C., Grima, A. & Snis, U. L., 2024, (Accepted/In press) In: AI and Society. 9 p.

    Research output: Contribution to journalJournal articlepeer-review

  4. 2022
  5. Published

    Mixture Models for Spherical Data with Applications to Protein Bioinformatics

    Mardia, K. V., Barber, S., Burdett, P. M., Kent, J. T. & Hamelryck, Thomas Wim, 2022, Directional Statistics for Innovative Applications: A Bicentennial Tribute to Florence Nightingale. Springer, p. 15-32 (Forum for Interdisciplinary Mathematics).

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

  6. Published

    Persistent Topology of Protein Space

    Hamilton, W., Borgert, J. E., Hamelryck, Thomas Wim & Marron, J. S., 2022, Research in Computational Topology 2. Springer, p. 223-244 (Association for Women in Mathematics Series, Vol. 30).

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

  7. 2021
  8. Published

    Efficient Generative Modelling of Protein Structure Fragments using a Deep Markov Model

    Thygesen, Christian Bahne, Al-Sibahi, A. S., Steenmanns, C. S., Sanz Moreta, Lys, Sørensen, A. B. & Hamelryck, Thomas Wim, 2021, International Conference on Machine Learning, 18-24 July 2021, Virtual. PMLR, p. 10258-10267 (Proceedings of Machine Learning Research, Vol. 139).

    Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

  9. Published

    Time-efficient Bayesian Inference for a (Skewed) von Mises Distribution on the Torus in a Deep Probabilistic Programming Language

    Rønning, Ola, Ley, C., Mardia, K. V. & Hamelryck, Thomas Wim, 2021, 2021 IEEE International Conference on Multisensor Fusion and Integration for Intelligent Systems (MFI). IEEE, p. 1-8

    Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

  10. 2020
  11. Published

    Bayesian protein superposition using Hamiltonian Monte Carlo

    Sanz Moreta, Lys, Al-Sibahi, A. S. & Hamelryck, Thomas Wim, Oct 2020, Proceedings - IEEE 20th International Conference on Bioinformatics and Bioengineering, BIBE 2020. IEEE, p. 1-11 9288019

    Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

  12. Published

    A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community) [version 1; peer review: 1 approved, 3 approved with reservations]

    Orengo, C., Velankar, S., Wodak, S., Zoete, V., Bonvin, A. M. J. J., Elofsson, A., Feenstra, K. A., Gerloff, D. L., Hamelryck, T., Hancock, J. M., Helmer-Citterich, M., Hospital, A., Orozco, M., Perrakis, A., Rarey, M., Soares, C., Sussman, J. L., Thornton, J. M., Tuffery, P., Tusnady, G. & 3 others, Wierenga, R., Salminen, T. & Schneider, B., 2020, In: F1000Research. 9, 27 p., 278.

    Research output: Contribution to journalJournal articlepeer-review

  13. Published

    GISA: using Gauss Integrals to identify rare conformations in protein structures

    Grønbæk, Christian, Hamelryck, Thomas Wim & Røgen, P., 2020, In: PeerJ. 8, 16 p., e9159.

    Research output: Contribution to journalJournal articlepeer-review

  14. 2019
  15. Published

    A Probabilistic Programming Approach to Protein Structure Superposition

    Sanz Moreta, Lys, Al-Sibahi, A. S., Theobald, D., Bullock, W., Rommes, B. N., Manoukian, Andreas & Hamelryck, Thomas Wim, 2019, 2019 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, CIBCB 2019. Baruzzo, G., Daberdaku, S., Di Camillo, B., Furini, S., Giordano, E. D. & Nicosia, G. (eds.). IEEE, 5 p. 8791469

    Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

  16. Published

    Langevin diffusions on the torus: estimation and applications

    García-Portugués, E., Sørensen, Michael, Mardia, K. V. & Hamelryck, Thomas Wim, 2019, In: Statistics and Computing. 29, 1, p. 1-22 22 p.

    Research output: Contribution to journalJournal articlepeer-review

  17. 2018
  18. Published

    MyPMFs: a simple tool for creating statistical potentials to assess protein structural models

    Postic, G., Hamelryck, Thomas Wim, Chomilier, J. & Stratmann, D., 2018, In: Biochimie. 151, p. 37-41 5 p.

    Research output: Contribution to journalJournal articlepeer-review

  19. Published

    Probabilistic Programming for Voucher Information Extraction: Preliminary Practical Experiences

    Al-Sibahi, A. S., Hamelryck, Thomas Wim & Henglein, Fritz, 2018.

    Research output: Contribution to conferencePosterResearch

  20. Published

    Toroidal Diffusions and Protein Structure Evolution

    Garcia Portugues, E., Golden, M., Sørensen, Michael, Mardia, K. V., Hamelryck, Thomas Wim & Hein, J., 2018, Applied Directional Statistics: Modern Methods and Case Studies. Ley, C. & Verdebout, H. (eds.). CRC Press, 34 p.

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

  21. 2017
  22. Published

    A Generative Angular Model of Protein Structure Evolution

    Golden, M., Garcia-Portugues, E., Sørensen, Michael, Mardia, K. V., Hamelryck, Thomas Wim & Hein, J., Aug 2017, In: Molecular Biology and Evolution. 34, 8, p. 2085-2100

    Research output: Contribution to journalJournal articlepeer-review

  23. 2016
  24. Published

    Bayesian inference of protein ensembles from SAXS data

    Antonov, L. D., Olsson, S., Boomsma, Wouter & Hamelryck, Thomas Wim, 2016, In: Physical Chemistry Chemical Physics. 18, 8, p. 5832-5838 7 p.

    Research output: Contribution to journalJournal articlepeer-review

  25. Published

    Computational redesign of thioredoxin is hypersensitive towards minor conformational changes in the backbone template

    Johansson, Kristoffer Enøe, Johansen, Nicolai Tidemand, Christensen, S., Horowitz, S., Bardwell, J. C. A., Olsen, Johan Gotthardt, Willemoës, Martin, Lindorff-Larsen, Kresten, Ferkinghoff-Borg, J., Hamelryck, Thomas Wim & Winther, Jakob R., 2016, In: Journal of Molecular Biology. 428, 21, p. 4361-4377 17 p.

    Research output: Contribution to journalJournal articlepeer-review

  26. 2015
  27. Published

    Bayesian inference of protein structure from chemical shift data

    Bratholm, L. A., Christensen, A. S., Hamelryck, Thomas Wim & Jensen, Jan Halborg, 2015, In: PeerJ. 3, 19 p., e861.

    Research output: Contribution to journalJournal articlepeer-review

  28. Published

    Proteins, physics and probability kinematics: a Bayesian formulation of the protein folding problem

    Hamelryck, Thomas Wim, Boomsma, Wouter, Ferkinghoff-Borg, J., Foldager, J. I., Frellsen, J., Haslett, J. & Theobald, D., 2015, Geometry driven statistics. Dryden, I. L. & Kent, J. T. (eds.). Wiley, p. 356-376 21 p.

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

  29. 2014
  30. Published

    Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts

    Boomsma, Wouter, Tian, P., Frellsen, J., Ferkinghoff-Borg, J., Hamelryck, Thomas Wim, Lindorff-Larsen, Kresten & Vendruscolo, M., 2014, In: Proceedings of the National Academy of Sciences of the United States of America. 111, 38, p. 13852-13857 6 p.

    Research output: Contribution to journalJournal articlepeer-review

  31. Published

    Formulation of probabilistic models of protein structure in atomic detail using the reference ratio method

    Valentin, J., Andreetta, C., Boomsma, Wouter, Bottaro, S., Ferkinghoff-Borg, J., Frellsen, J., Mardia, K. V., Tian, P. & Hamelryck, Thomas Wim, 2014, In: Proteins: Structure, Function, and Bioinformatics. 82, 2, p. 288-299 12 p.

    Research output: Contribution to journalJournal articlepeer-review

  32. Published

    FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models

    Christensen, A. S., Hamelryck, Thomas Wim & Jensen, Jan Halborg, 2014, In: PeerJ. 2, e277.

    Research output: Contribution to journalJournal articlepeer-review

  33. Published

    Probabilistic determination of native state ensembles of proteins

    Olsson, S., Vögeli, B. R., Cavalli, A., Boomsma, Wouter, Ferkinghoff-Borg, J., Lindorff-Larsen, Kresten & Hamelryck, Thomas Wim, 2014, In: Journal of Chemical Theory and Computation. 10, 8, p. 3484-3491 8 p.

    Research output: Contribution to journalJournal articlepeer-review

  34. 2013
  35. Published

    A simple probabilistic model of multibody interactions in proteins

    Johansson, Kristoffer Enøe & Hamelryck, Thomas Wim, 2013, In: Proteins: Structure, Function, and Bioinformatics. 81, 8, p. 1340-1350 11 p.

    Research output: Contribution to journalJournal articlepeer-review

  36. Published

    Combining the multicanonical ensemble with generative probabilistic models of local biomolecular structure

    Frellsen, J., Hamelryck, Thomas Wim & Ferkinghoff-Borg, J., 2013, Proceedings of the 59th World Statistics Congress of the International Statistical Institute, 2013 . Hague, p. 139-144 6 p.

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

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