Thomas Wim Hamelryck

Thomas Wim Hamelryck

Professor

ORCID: 0000-0003-2917-3602

Publication year:
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1 - 25 out of 37Page size: 25
  1. 2024
  2. 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 journal › Journal article › Research › peer-review

  3. 2020
  4. 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 journal › Journal article › Research › peer-review

  5. 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 journal › Journal article › Research › peer-review

  6. 2019
  7. 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 journal › Journal article › Research › peer-review

  8. 2018
  9. 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 journal › Journal article › Research › peer-review

  10. 2017
  11. 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 journal › Journal article › Research › peer-review

  12. 2016
  13. 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 journal › Journal article › Research › peer-review

  14. 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 journal › Journal article › Research › peer-review

  15. 2015
  16. 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 journal › Journal article › Research › peer-review

  17. 2014
  18. 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 journal › Journal article › Research › peer-review

  19. 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 journal › Journal article › Research › peer-review

  20. 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 journal › Journal article › Research › peer-review

  21. 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 journal › Journal article › Research › peer-review

  22. 2013
  23. 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 journal › Journal article › Research › peer-review

  24. Published

    Inference of structure ensembles of flexible biomolecules from sparse, averaged data

    Olsson, S., Frellsen, J., Boomsma, Wouter, Mardia, K. V. & Hamelryck, Thomas Wim, 2013, In: PLoS ONE. 8, 11, 7 p., e79439.

    Research output: Contribution to journal › Journal article › Research › peer-review

  25. Published

    PHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure

    Boomsma, Wouter, Frellsen, J., Harder, T. P., Bottaro, S., Johansson, Kristoffer Enøe, Tian, P., Stovgaard, K., Andreetta, C., Olsson, S., Valentin, J., Antonov, L. D., Christensen, A. S., Borg, M., Jensen, Jan Halborg, Lindorff-Larsen, Kresten, Ferkinghoff-Borg, J. & Hamelryck, Thomas Wim, 2013, In: Journal of Computational Chemistry. 34, 19, p. 1697-1705 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  26. Published

    Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics

    Christensen, A. S., Linnet, T. E., Borg, M., Boomsma, Wouter, Lindorff-Larsen, Kresten, Hamelryck, Thomas Wim & Jensen, Jan Halborg, 2013, In: PLoS ONE. 8, 12, 10 p., e84123.

    Research output: Contribution to journal › Journal article › Research › peer-review

  27. 2012
  28. Published

    An efficient null model for conformational fluctuations in proteins

    Harder, T. P., Bottaro, S., Boomsma, Wouter, Olsson, S., Ferkinghoff-Borg, J. & Hamelryck, Thomas Wim, 2012, In: Structure. 20, 6, p. 1028-1039 12 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  29. Published

    Fast large-scale clustering of protein structures using Gauss integrals

    Harder, T. P., Borg, M., Boomsma, Wouter, Røgen, P. & Hamelryck, Thomas Wim, 2012, In: Bioinformatics. 28, 4, p. 510-515 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  30. Published

    Mixtures of concentrated multivariate sine distributions with applications to bioinformatics

    Mardia, K. V., Kent, J. T., Zhang, Z., Taylor, C. C. & Hamelryck, Thomas Wim, 2012, In: Journal of Applied Statistics. 39, 11, p. 2475-2492 18 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  31. Published

    Subtle Monte Carlo updates in dense molecular systems

    Bottaro, S., Boomsma, Wouter, Johansson, Kristoffer Enøe, Andreetta, C., Hamelryck, Thomas Wim & Ferkinghoff-Borg, J., 2012, In: Journal of Chemical Theory and Computation. 8, 2, p. 695-702 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  32. 2011
  33. Published

    Generative probabilistic models extend the scope of inferential structure determination

    Olsson, S., Boomsma, Wouter, Frellsen, J., Bottaro, S., Harder, T. P., Ferkinghoff-Borg, J. & Hamelryck, Thomas Wim, 2011, In: Journal of Magnetic Resonance. 213, 1, p. 182-186 5 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  34. 2010
  35. Published

    Beyond rotamers: a generative, probabilistic model of side chains in proteins

    Harder, T., Boomsma, Wouter, Paluszewski, M., Frellsen, J., Johansson, Kristoffer Enøe & Hamelryck, Thomas Wim, 1 Jan 2010, In: B M C Bioinformatics. 11, p. 306

    Research output: Contribution to journal › Journal article › Research › peer-review

  36. Published

    Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    Stovgaard, K., Andreetta, C., Ferkinghoff-Borg, J. & Hamelryck, Thomas Wim, 1 Jan 2010, In: B M C Bioinformatics. 11, p. 429

    Research output: Contribution to journal › Journal article › Research › peer-review

  37. Published

    Mocapy++ - a toolkit for inference and learning in dynamic Bayesian networks

    Paluszewski, M. & Hamelryck, Thomas Wim, 2010, In: BMC Bioinformatics. 11, Suppl 1, 6 p., 126.

    Research output: Contribution to journal › Journal article › Research › peer-review

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