Wouter Boomsma
Professor
Machine Learning
Universitetsparken 1
2100 København Ø
- 2013
- 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
- 2014
- Published
Combining experiments and simulations using the maximum entropy principle
Boomsma, Wouter, Ferkinghoff-Borg, J. & Lindorff-Larsen, Kresten, 2014, In: PLoS Computational Biology. 10, 2, 9 p., e1003406.Research output: Contribution to journal › Journal article › Research › peer-review
Conformational and aggregation properties of the 1-93 fragment of apolipoprotein A-I
Petrlova, J., Bhattacherjee, A., Boomsma, Wouter, Wallin, S., Lagerstedt, J. O. & Irbäck, A., 2014, In: Protein Science. 23, 11, p. 1559-1571 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 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
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
- Published
Robust estimation of diffusion-optimized ensembles for enhanced sampling
Tian, P., Jónsson, S. Æ., Ferkinghoff-Borg, J., Krivov, S. V. .., Lindorff-Larsen, Kresten, Irbäck, A. & Boomsma, Wouter, 2014, In: Journal of Chemical Theory and Computation. 10, 2, p. 543–553 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2015
- Published
Comparing molecular dynamics force fields in the essential subspace
Martin-García, F., Papaleo, E., Gomez-Puertas, P., Boomsma, Wouter & Lindorff-Larsen, Kresten, 2015, In: PLoS ONE. 10, 3, 16 p., e0121114.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
ENCORE: Software for Quantitative Ensemble Comparison
Tiberti, M., Papaleo, E., Bengtsen, T., Boomsma, Wouter & Lindorff-Larsen, Kresten, 2015, In: PLoS Computational Biology. 11, 10, 16 p., e1004415.Research output: Contribution to journal › Journal article › Research › peer-review
- 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 proceeding › Book chapter › Research › peer-review
- Published
Structure of a functional amyloid protein subunit computed using sequence variation
Tian, P., Boomsma, Wouter, Wang, Y., Otzen, D., Jensen, Mogens Høgh & Lindorff-Larsen, Kresten, 2015, In: Journal of the American Chemical Society. 137, 1, p. 22–25 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
What does evolution tell us about the structure of a functional amyloid protein?
Tian, P., Boomsma, Wouter, Wang, Y., Otzen, D. E., Jensen, Mogens Høgh & Lindorff-Larsen, Kresten, 2015, In: Biophysical Journal. 108, 2, Supplement 1, p. 227a 1 p.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
- 2016
- Published
A Monte Carlo study of the early steps of functional amyloid formation
Tian, P., Lindorff-Larsen, Kresten, Boomsma, Wouter, Jensen, Mogens Høgh & Otzen, D. E., 2016, In: P L o S One. 11, 1, 18 p., e0146096.Research output: Contribution to journal › Journal article › Research › peer-review
- 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
Bioinformatics analysis identifies several intrinsically disordered human E3 ubiquitin-protein ligases
Boomsma, Wouter, Nielsen, S. V., Lindorff-Larsen, Kresten, Hartmann-Petersen, Rasmus & Ellgaard, Lars, 2016, In: PeerJ. 4, 18 p., e1725.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Rapid expansion of the protein disulfide isomerase gene family facilitates the folding of venom peptides
Safavi, Helena, Li, Q., Jackson, R. L., Song, A. S., Boomsma, Wouter, Bandyopadhyay, P. K., Gruber, C. W., Purcell, A. W., Yandell, M., Olivera, B. M. & Ellgaard, Lars, 2016, In: Proceedings of the National Academy of Sciences of the United States of America. 113, 12, p. 3227-3232 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Structure of the bacterial cytoskeleton protein bactofilin by NMR chemical shifts and sequence variation
Kassem, M. M., Wang, Y., Boomsma, Wouter & Lindorff-Larsen, Kresten, 2016, In: Biophysical Journal. 110, 11, p. 2342-2348 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2017
- Published
Spherical convolutions and their application in molecular modelling
Boomsma, Wouter & Frellsen, J., 2017, Neural Information Processing Systems 2017. Guyon, I., Luxburg, U. V., Bengio, S., Wallach, H., Fergus, R., Vishwanathan, S. & Garnett, R. (eds.). NIPS Proceedings, 11 p. (Advances in Neural Information Processing Systems, Vol. 30).Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
- 2018
- Published
3D steerable CNNs: Learning rotationally equivariant features in volumetric data
Weiler, M., Geiger, M., Welling, M., Boomsma, Wouter & Cohen, T., 2018, Proceedings of the 32nd International Conference on Neural Information Processing Systems. derc ed. NIPS Proceedings, Vol. 2018. p. 10381-10392 12 p. (Advances in Neural Information Processing Systems, Vol. 31).Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
- Published
Monte Carlo Sampling of Protein Folding by Combining an All-Atom Physics-Based Model with a Native State Bias
Wang, Y., Tian, P., Boomsma, Wouter & Lindorff-Larsen, Kresten, 2018, In: Journal of Physical Chemistry B. 122, 49, p. 11174-11185Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Driving Structural Transitions in Molecular Simulations Using the Nonequilibrium Candidate Monte Carlo
Kurut, A., Fonseca, R. & Boomsma, Wouter, 25 Jan 2018, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 122, 3, p. 1195-1204Research output: Contribution to journal › Journal article › Research › peer-review
- 2019
- Published
Barnaba: software for analysis of nucleic acid structures and trajectories
Bottaro, S., Bussi, G., Pinamonti, G., Reisser, S., Boomsma, Wouter & Lindorff-Larsen, Kresten, 2019, In: RNA. 25, 2, p. 219-231Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Random coil chemical shifts for serine, threonine and tyrosine phosphorylation over a broad pH range
Hendus-Altenburger, R., Fernandes, Catarina, Bugge, K., Kunze, M. B. A., Boomsma, Wouter & Kragelund, Birthe Brandt, 2019, In: Journal of Biomolecular NMR. 73, 12, p. 713–725 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The PCNA interaction motifs revisited: thinking outside the PIP-box
Prestel, Andreas, Wichmann, N., Martins, J. M., Marabini, R., Kassem, N., Broendum, S. S., Otterlei, M., Nielsen, Olaf, Willemoës, Martin, Ploug, Michael, Boomsma, Wouter & Kragelund, Birthe Brandt, 2019, In: Cellular and Molecular Life Sciences. 76, 24, p. 4923-4943Research output: Contribution to journal › Journal article › Research › peer-review
- 2020
- Published
Context Matters in Disorder Based Protein Communication
Kragelund, Birthe Brandt, Prestel, Andreas, Wickmann, N., Martins, J., Boomsma, Wouter, Staby, L., Hendus-Altenburger, R. & Skriver, Karen, 2020, In: Biophysical Journal. 118, 3, suppl. 1, p. 491A 2407-Plat.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
ID: 40103911
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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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Inference of structure ensembles of flexible biomolecules from sparse, averaged data
Research output: Contribution to journal › Journal article › Research › peer-review
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Potentials of mean force for protein structure prediction vindicated, formalized and generalized
Research output: Contribution to journal › Journal article › Research › peer-review
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