Thomas Wim Hamelryck
Professor
Computational and RNA Biology
Ole Maaløes Vej 5
2200 København N.
Programming Languages and Theory of Computing
Universitetsparken 5
2100 København Ø
- 2024
- 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
- 2020
- 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, , 2020, In: F1000Research. 9, 27 p., 278.Research output: Contribution to journal › Journal article › Research › peer-review
- 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
- 2019
- 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
- 2018
- 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
- 2017
- 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. 2085-2100Research output: Contribution to journal › Journal article › Research › peer-review
- 2016
- 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
- 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
- 2015
- 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
- 2014
- 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
- 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
- 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
- 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
- 2013
- 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
- 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
- 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
- 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
- 2012
- 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
- 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
- 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
- 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
- 2011
- 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
- 2010
- 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. 306Research output: Contribution to journal › Journal article › Research › peer-review
- 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. 429Research output: Contribution to journal › Journal article › Research › peer-review
- 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
- Published
Potentials of mean force for protein structure prediction vindicated, formalized and generalized
Hamelryck, Thomas Wim, Borg, M., Paluszewski, M., Paulsen, J., Frellsen, J., Andreetta, C., Boomsma, Wouter, Bottaro, S. & Ferkinghoff-Borg, J., 2010, In: PLoS ONE. 5, 11, 11 p., e13714.Research output: Contribution to journal › Journal article › Research › peer-review
- 2009
- Published
A probabilistic approach to protein structureprediction: PHAISTOS in CASP8
Borg, M., Boomsma, Wouter, Ferkinghoff-Borg, J., Frellsen, J., Harder, T. P., Mardia, K. V., Røgen, P., Stovgaard, K. & Hamelryck, Thomas Wim, 2009, In: School of Mathematics. p. 65-70Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A probabilistic model of RNA conformational space
Frellsen, J., Moltke, Ida, Thiim, M., Mardia, K. V., Ferkinghoff-Borg, J. & Hamelryck, Thomas Wim, 2009, In: PLoS Computational Biology. 5, 6, p. e1000406Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Biopython: freely available Python tools for computational molecular biology and bioinformatics
Cock, P. J. A., Antao, T., Chang, J. T., Chapman, B. A., Cox, C. J., Dalke, A., Friedberg, I., Hamelryck, Thomas Wim, Kauff, F., Wilczynski, B. & de Hoon, M. J. L., 2009, In: Bioinformatics. 25, 11, p. 1422-3 1 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Probabilistic models and machine learning in structural bioinformatics
Hamelryck, Thomas Wim, 2009, In: Statistical Methods in Medical Research. 18, 5, p. 505-26 21 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2008
- Published
A generative, probabilistic model of local protein structure
Boomsma, Wouter, Mardia, K. V., Taylor, C. C., Ferkinghoff-Borg, J., Krogh, Anders & Hamelryck, Thomas Wim, 2008, In: Proceedings of the National Academy of Science of the United States of America. 105, 26, p. 8932-8937 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2007
- Published
Bioinformatic and experimental analysis of the secondary structure of amelogenin
Vilhjalmsson, B., Rasmussen, Anne, Fabi, B., van de Weert, Marco, Hamelryck, Thomas Wim & Lemoult, S., 1 Nov 2007, In: European Cells and Materials. 14, SUPPL.2, 1 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
An evolutionary method for learning HMM structure: prediction of protein secondary structure.
Won, K., Hamelryck, Thomas Wim, Prügel-Bennett, A. & Krogh, Anders, 2007, In: BMC Bioinformatics. 8, p. 357Research output: Contribution to journal › Journal article › Research › peer-review
- 2006
- Published
Diverse bacterial genomes encode an operon of two genes, one of which is a unusual class-I release factor that potentially recognizes atypical mRNA signals other than normal stop codons
Baranov, P., Vestergaard, Bente, Hamelryck, Thomas Wim, Gesteland, Nyborg, J. & Atking, J., 2006, In: Biology Direct. 13, p. 1-28 28 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Reconstructing protein structure from solvent exposure using tabu search
Paluszewski, M., Hamelryck, Thomas Wim & Winter, Pawel, 2006, In: Algorithms for Molecular Biology. 1, p. 14Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Sampling Realistic Protein Conformations Using Local Structural Bias
Hamelryck, Thomas Wim, Kent, J. T. & Krogh, Anders, 2006, In: PLoS ONE. 2, 9, p. e131Research output: Contribution to journal › Journal article › Research › peer-review
- 2005
- Published
Full cyclic coordinate descent: solving the protein loop closure problem in Cα space
Boomsma, Wouter & Hamelryck, Thomas Wim, 2005, In: BMC Bioinformatics. 6, 10 p., 159.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 5765
Most downloads
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2307
downloads
Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
1784
downloads
Parallel GPGPU Evaluation of Small Angle X-ray Scattering Profiles in a Markov Chain Monte Carlo Framework
Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
Published -
1468
downloads
A probabilistic model of RNA conformational space
Research output: Contribution to journal › Journal article › Research › peer-review
Published