Thomas Hamelryck - Publications

Affiliations: 
Bioinformatics Centre University of Copenhagen, København, Denmark 

47 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Grønbæk C, Hamelryck T, Røgen P. GISA: using Gauss Integrals to identify rare conformations in protein structures. Peerj. 8: e9159. PMID 32566389 DOI: 10.7717/Peerj.9159  0.508
2020 Orengo C, Velankar S, Wodak S, Zoete V, Bonvin AMJJ, Elofsson A, Feenstra KA, Gerloff DL, Hamelryck T, Hancock JM, Helmer-Citterich M, Hospital A, Orozco M, Perrakis A, Rarey M, et al. A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community). F1000research. 9. PMID 32566135 DOI: 10.12688/F1000Research.20559.1  0.367
2019 Moreta LS, Al-Sibahi AS, Theobald D, Bullock W, Rommes BN, Manoukian A, Hamelryck T. A Probabilistic Programming Approach to Protein Structure Superposition. Proceedings of the ... Ieee Symposium On Computational Intelligence in Bioinformatics and Computational Biology : Cibcb. Ieee Symposium On Computational Intelligence in Bioinformatics and Computational Biology. 2019. PMID 34661202 DOI: 10.1109/cibcb.2019.8791469  0.717
2018 Postic G, Hamelryck T, Chomilier J, Stratmann D. MyPMFs: a simple tool for creating statistical potentials to assess protein structural models. Biochimie. PMID 29857183 DOI: 10.1016/j.biochi.2018.05.013  0.388
2017 Golden M, Garcia-Portugues E, Sørensen M, Mardia KV, Hamelryck T, Hein J. A generative angular model of protein structure evolution. Molecular Biology and Evolution. PMID 28453724 DOI: 10.1093/Molbev/Msx137  0.46
2017 García-Portugués E, Sørensen M, Mardia KV, Hamelryck T. Langevin diffusions on the torus: estimation and applications Statistics and Computing. 29: 1-22. DOI: 10.1007/S11222-017-9790-2  0.305
2016 Johansson KE, Johansen NT, Christensen S, Horowitz S, Bardwell JC, Olsen JG, Willemoës M, Lindorff-Larsen K, Ferkinghoff-Borg J, Hamelryck T, Winther JR. Computational redesign of thioredoxin is hypersensitive towards minor conformational changes in the backbone template. Journal of Molecular Biology. PMID 27659562 DOI: 10.1016/J.Jmb.2016.09.013  0.46
2015 Antonov LD, Olsson S, Boomsma W, Hamelryck T. Bayesian inference of protein ensembles from SAXS data. Physical Chemistry Chemical Physics : Pccp. PMID 26548662 DOI: 10.1039/C5Cp04886A  0.647
2015 Bratholm LA, Christensen AS, Hamelryck T, Jensen JH. Bayesian inference of protein structure from chemical shift data. Peerj. 3: e861. PMID 25825683 DOI: 10.7717/Peerj.861  0.385
2014 Olsson S, Vögeli BR, Cavalli A, Boomsma W, Ferkinghoff-Borg J, Lindorff-Larsen K, Hamelryck T. Probabilistic Determination of Native State Ensembles of Proteins. Journal of Chemical Theory and Computation. 10: 3484-91. PMID 26588313 DOI: 10.1021/Ct5001236  0.577
2014 Boomsma W, Tian P, Frellsen J, Ferkinghoff-Borg J, Hamelryck T, Lindorff-Larsen K, Vendruscolo M. Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts. Proceedings of the National Academy of Sciences of the United States of America. 111: 13852-7. PMID 25192938 DOI: 10.1073/Pnas.1404948111  0.457
2014 Valentin JB, Andreetta C, Boomsma W, Bottaro S, Ferkinghoff-Borg J, Frellsen J, Mardia KV, Tian P, Hamelryck T. Formulation of probabilistic models of protein structure in atomic detail using the reference ratio method. Proteins. 82: 288-99. PMID 23934827 DOI: 10.1002/Prot.24386  0.5
2013 Christensen AS, Linnet TE, Borg M, Boomsma W, Lindorff-Larsen K, Hamelryck T, Jensen JH. Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics. Plos One. 8: e84123. PMID 24391900 DOI: 10.1371/Journal.Pone.0084123  0.326
2013 Olsson S, Frellsen J, Boomsma W, Mardia KV, Hamelryck T. Inference of structure ensembles of flexible biomolecules from sparse, averaged data. Plos One. 8: e79439. PMID 24244505 DOI: 10.1371/Journal.Pone.0079439  0.598
2013 Boomsma W, Frellsen J, Harder T, Bottaro S, Johansson KE, Tian P, Stovgaard K, Andreetta C, Olsson S, Valentin JB, Antonov LD, Christensen AS, Borg M, Jensen JH, Lindorff-Larsen K, ... ... Hamelryck T, et al. PHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure. Journal of Computational Chemistry. 34: 1697-705. PMID 23619610 DOI: 10.1002/Jcc.23292  0.619
2013 Johansson KE, Hamelryck T. A simple probabilistic model of multibody interactions in proteins. Proteins. 81: 1340-50. PMID 23468247 DOI: 10.1002/Prot.24277  0.47
2012 Bottaro S, Boomsma W, E Johansson K, Andreetta C, Hamelryck T, Ferkinghoff-Borg J. Subtle Monte Carlo Updates in Dense Molecular Systems. Journal of Chemical Theory and Computation. 8: 695-702. PMID 26596617 DOI: 10.1021/Ct200641M  0.386
2012 Harder T, Borg M, Bottaro S, Boomsma W, Olsson S, Ferkinghoff-Borg J, Hamelryck T. An efficient null model for conformational fluctuations in proteins. Structure (London, England : 1993). 20: 1028-39. PMID 22578545 DOI: 10.1016/J.Str.2012.03.020  0.598
2012 Harder T, Borg M, Boomsma W, Røgen P, Hamelryck T. Fast large-scale clustering of protein structures using Gauss integrals. Bioinformatics (Oxford, England). 28: 510-5. PMID 22199383 DOI: 10.1093/Bioinformatics/Btr692  0.368
2011 Olsson S, Boomsma W, Frellsen J, Bottaro S, Harder T, Ferkinghoff-Borg J, Hamelryck T. Generative probabilistic models extend the scope of inferential structure determination. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 213: 182-6. PMID 21993764 DOI: 10.1016/J.Jmr.2011.08.039  0.628
2010 Hamelryck T, Borg M, Paluszewski M, Paulsen J, Frellsen J, Andreetta C, Boomsma W, Bottaro S, Ferkinghoff-Borg J. Potentials of mean force for protein structure prediction vindicated, formalized and generalized. Plos One. 5: e13714. PMID 21103041 DOI: 10.1371/Journal.Pone.0013714  0.478
2010 Stovgaard K, Andreetta C, Ferkinghoff-Borg J, Hamelryck T. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models. Bmc Bioinformatics. 11: 429. PMID 20718956 DOI: 10.1186/1471-2105-11-429  0.365
2010 Harder T, Boomsma W, Paluszewski M, Frellsen J, Johansson KE, Hamelryck T. Beyond rotamers: a generative, probabilistic model of side chains in proteins. Bmc Bioinformatics. 11: 306. PMID 20525384 DOI: 10.1186/1471-2105-11-306  0.418
2010 Paluszewski M, Hamelryck T. Mocapy++--a toolkit for inference and learning in dynamic Bayesian networks. Bmc Bioinformatics. 11: 126. PMID 20226024 DOI: 10.1186/1471-2105-11-126  0.365
2009 Frellsen J, Moltke I, Thiim M, Mardia KV, Ferkinghoff-Borg J, Hamelryck T. A probabilistic model of RNA conformational space. Plos Computational Biology. 5: e1000406. PMID 19543381 DOI: 10.1371/Journal.Pcbi.1000406  0.389
2009 Cock PJ, Antao T, Chang JT, Chapman BA, Cox CJ, Dalke A, Friedberg I, Hamelryck T, Kauff F, Wilczynski B, de Hoon MJ. Biopython: freely available Python tools for computational molecular biology and bioinformatics. Bioinformatics (Oxford, England). 25: 1422-3. PMID 19304878 DOI: 10.1093/Bioinformatics/Btp163  0.322
2009 Hamelryck T. Probabilistic models and machine learning in structural bioinformatics. Statistical Methods in Medical Research. 18: 505-26. PMID 19153168 DOI: 10.1177/0962280208099492  0.411
2008 Boomsma W, Mardia KV, Taylor CC, Ferkinghoff-Borg J, Krogh A, Hamelryck T. A generative, probabilistic model of local protein structure. Proceedings of the National Academy of Sciences of the United States of America. 105: 8932-7. PMID 18579771 DOI: 10.1073/Pnas.0801715105  0.513
2007 Won KJ, Hamelryck T, Prügel-Bennett A, Krogh A. An evolutionary method for learning HMM structure: prediction of protein secondary structure. Bmc Bioinformatics. 8: 357. PMID 17888163 DOI: 10.1186/1471-2105-8-357  0.418
2006 Paluszewski M, Hamelryck T, Winter P. Reconstructing protein structure from solvent exposure using tabu search. Algorithms For Molecular Biology : Amb. 1: 20. PMID 17069644 DOI: 10.1186/1748-7188-1-20  0.463
2006 Hamelryck T, Kent JT, Krogh A. Sampling realistic protein conformations using local structural bias. Plos Computational Biology. 2: e131. PMID 17002495 DOI: 10.1371/Journal.Pcbi.0020131  0.494
2006 Baranov PV, Vestergaard B, Hamelryck T, Gesteland RF, Nyborg J, Atkins JF. Diverse bacterial genomes encode an operon of two genes, one of which is an unusual class-I release factor that potentially recognizes atypical mRNA signals other than normal stop codons. Biology Direct. 1: 28. PMID 16970810 DOI: 10.1186/1745-6150-1-28  0.531
2005 Boomsma W, Hamelryck T. Full cyclic coordinate descent: solving the protein loop closure problem in Calpha space. Bmc Bioinformatics. 6: 159. PMID 15985178 DOI: 10.1186/1471-2105-6-159  0.416
2005 Hamelryck T. An amino acid has two sides: a new 2D measure provides a different view of solvent exposure. Proteins. 59: 38-48. PMID 15688434 DOI: 10.1002/Prot.20379  0.36
2003 Hamelryck T, Manderick B. PDB file parser and structure class implemented in Python. Bioinformatics (Oxford, England). 19: 2308-10. PMID 14630660 DOI: 10.1093/Bioinformatics/Btg299  0.408
2003 Hamelryck T. Efficient identification of side-chain patterns using a multidimensional index tree. Proteins. 51: 96-108. PMID 12596267 DOI: 10.1002/Prot.10338  0.406
2001 Buts L, Dao-Thi MH, Loris R, Wyns L, Etzler M, Hamelryck T. Weak protein-protein interactions in lectins: the crystal structure of a vegetative lectin from the legume Dolichos biflorus. Journal of Molecular Biology. 309: 193-201. PMID 11491289 DOI: 10.1006/Jmbi.2001.4639  0.648
2000 Hamelryck TW, Moore JG, Chrispeels MJ, Loris R, Wyns L. The role of weak protein-protein interactions in multivalent lectin-carbohydrate binding: crystal structure of cross-linked FRIL. Journal of Molecular Biology. 299: 875-83. PMID 10843844 DOI: 10.1006/Jmbi.2000.3785  0.524
1999 Bouckaert J, Hamelryck T, Wyns L, Loris R. Novel structures of plant lectins and their complexes with carbohydrates. Current Opinion in Structural Biology. 9: 572-7. PMID 10508764 DOI: 10.1016/S0959-440X(99)00007-X  0.597
1999 Bouckaert J, Hamelryck TW, Wyns L, Loris R. The crystal structures of Man(alpha1-3)Man(alpha1-O)Me and Man(alpha1-6)Man(alpha1-O)Me in complex with concanavalin A. The Journal of Biological Chemistry. 274: 29188-95. PMID 10506175 DOI: 10.1074/Jbc.274.41.29188  0.466
1999 Hamelryck TW, Loris R, Bouckaert J, Dao-Thi MH, Strecker G, Imberty A, Fernandez E, Wyns L, Etzler ME. Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus. Journal of Molecular Biology. 286: 1161-77. PMID 10047489 DOI: 10.1006/Jmbi.1998.2534  0.539
1998 Dao-Thi MH, Hamelryck TW, Bouckaert J, Körber F, Burkow V, Poortmans F, Etzler M, Strecker G, Wyns L, Loris R. Crystallization of two related lectins from the legume plant Dolichos biflorus. Acta Crystallographica. Section D, Biological Crystallography. 54: 1446-9. PMID 10089534 DOI: 10.1107/S0907444998004478  0.471
1998 Loris R, Hamelryck T, Bouckaert J, Wyns L. Legume lectin structure. Biochimica Et Biophysica Acta. 1383: 9-36. PMID 9546043 DOI: 10.1016/S0167-4838(97)00182-9  0.647
1996 Hamelryck TW, Poortmans F, Goossens A, Angenon G, Van Montagu M, Wyns L, Loris R. Crystal structure of arcelin-5, a lectin-like defense protein from Phaseolus vulgaris. The Journal of Biological Chemistry. 271: 32796-802. PMID 8955116 DOI: 10.1074/Jbc.271.51.32796  0.595
1996 Hamelryck TW, Dao-Thi MH, Poortmans F, Chrispeels MJ, Wyns L, Loris R. The crystallographic structure of phytohemagglutinin-L. The Journal of Biological Chemistry. 271: 20479-85. PMID 8702788 DOI: 10.1074/Jbc.271.34.20479  0.555
1996 Dao-Thi MH, Hamelryck TW, Poortmans F, Voelker TA, Chrispeels MJ, Wyns L. Crystallization of glycosylated and nonglycosylated phytohemagglutinin-L. Proteins. 24: 134-7. PMID 8628728 DOI: 10.1002/(Sici)1097-0134(199601)24:1<134::Aid-Prot9>3.0.Co;2-K  0.487
1995 Casset F, Hamelryck T, Loris R, Brisson JR, Tellier C, Dao-Thi MH, Wyns L, Poortmans F, Pérez S, Imberty A. NMR, molecular modeling, and crystallographic studies of lentil lectin-sucrose interaction. The Journal of Biological Chemistry. 270: 25619-28. PMID 7592736 DOI: 10.1074/Jbc.270.43.25619  0.593
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