Kresten Lindorff-Larsen
Professor
Biomolecular Sciences
Ole Maaløes Vej 5
2200 København N.
- 2016
- Published
The role of protein loops and linkers in conformational dynamics and allostery
Papaleo, E., Saladino, G., Lambrughi, M., Lindorff-Larsen, Kresten, Gervasio, F. L. & Nussinov, R., 2016, In: Chemical Reviews. 116, 11, p. 6391-6423 33 p.Research output: Contribution to journal › Review › Research › peer-review
- Published
Topological constraints and modular structure in the folding and functional motions of GlpG, an intramembrane protease
Schafer, N. P., Truong, H. H., Otzen, D. E., Lindorff-Larsen, Kresten & Wolynes, P. G., 2016, In: Proceedings of the National Academy of Sciences of the United States of America. 113, 8, p. 2098-2103 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2015
- Published
A two-step protein quality control pathway for a misfolded DJ-1 variant in fission yeast
Mathiassen, S. G., Larsen, I. B., Poulsen, E. G., Madsen, C. T., Papaleo, E., Lindorff-Larsen, Kresten, Kragelund, Birthe Brandt, Nielsen, Michael Lund, Kriegenburg, F. & Hartmann-Petersen, Rasmus, 2015, In: The Journal of Biological Chemistry. 290, 34, p. 21141-21153 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 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
Exploiting hydrophobicity for efficient production of transmembrane helices for structure determination by NMR spectroscopy
Bugge, K. Ø., Steinocher, H., Brooks, A. J., Lindorff-Larsen, Kresten & Kragelund, Birthe Brandt, 2015, In: Analytical Chemistry. 87, 18, p. 9126–9131 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
Interaction networks in protein folding via atomic-resolution experiments and long-time-scale molecular dynamics simulations
Sborgi, L., Verma, A., Piana, S., Lindorff-Larsen, Kresten, Cerminara, M., Santiveri, C. M., Shaw, D. E., De Alba, E. & Muñoz, V., 2015, In: Journal of the American Chemical Society. 137, 20, p. 6506-6516 11 p.Research output: Contribution to journal › Journal article › 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
- 2014
- Published
CECAM workshop on intrinsically disordered proteins
Rösner, Heike Ilona, Papaleo, E., Haxholm, G. W., Best, R. B., Kragelund, Birthe Brandt & Lindorff-Larsen, Kresten, 2014, In: Intrinsically Disordered Proteins. 2, 1, p. 1-5 5 p.Research output: Contribution to journal › Conference abstract in journal › Research
- 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
- Published
Communication routes in ARID domains between distal residues in Helix 5 and the DNA-binding loops
Invernizzi, G., Tiberti, M., Lambrughi, M., Lindorff-Larsen, Kresten & Papaleo, E., 2014, In: P L o S Computational Biology (Online). 10, 9, 13 p., e1003744.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Conformational changes and free energies in a Proline isomerase
Papaleo, E., Sutto, L., Gervasio, F. L. & Lindorff-Larsen, Kresten, 2014, In: Journal of Chemical Theory and Computation. 10, 9, p. 4169-4174 6 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
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
- 2013
- Published
A sticky cage can slow down folding
Boomsma, Wouter & Lindorff-Larsen, Kresten, 2013, In: Biophysical Journal. 104, 5, p. 964-965 2 p.Research output: Contribution to journal › Comment/debate › Research
Atomic-level description of ubiquitin folding
Piana, S., Lindorff-Larsen, Kresten & Shaw, D. E., 2013, In: Proceedings of the National Academy of Sciences of the United States of America. 110, 15, p. 5915-5920 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
Atomistic description of the folding of a dimeric protein
Piana, S., Lindorff-Larsen, Kresten & Shaw, D. E., 2013, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 117, 42, p. 12935-12942 8 p.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
- Published
The Structure of the Central Side Chain is Crucial for Anoplin Hemolytic Activity
Munk, J., Thøgersen, L., Uggerhøj, L. E., Wimmer, R., Frimodt-Møller, N., Lindorff-Larsen, Kresten & Hansen, Paul Robert, 2013, Proceedings of the 23rd American Peptide Symposium. Lebl, M. (ed.). American Peptide SocietyResearch output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
- Published
Variational optimization of an all-atom implicit solvent force field to match explicit solvent simulation data
Bottaro, S., Lindorff-Larsen, Kresten & Best, R. B., 2013, In: Journal of Chemical Theory and Computation. 9, 12, p. 5641-5652 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2012
Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations
Piana, S., Lindorff-Larsen, Kresten, Dirks, R. M., Salmon, J. K., Dror, R. O. & Shaw, D. E., 2012, In: P L o S One. 7, 6, 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Paths of long-range communication in the E2 enzymes of family 3: a molecular dynamics investigation
Papaleo, E., Lindorff-Larsen, Kresten & Gioia, L. D., 2012, In: Physical Chemistry Chemical Physics. 14, p. 12515-12525 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
Protein folding kinetics and thermodynamics from atomistic simulation
Piana, S., Lindorff-Larsen, Kresten & Shaw, D. E., 2012, In: Proceedings of the National Academy of Sciences of the United States of America. 109, 44, p. 17845-17850 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation
Lindorff-Larsen, Kresten, Trbovic, N., Maragakis, P., Piana, S. & Shaw, D. E., 2012, In: Journal of the American Chemical Society. 134, 8, p. 3787-3791 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
Systematic validation of protein force fields against experimental data
Lindorff-Larsen, Kresten, Maragakis, P., Piana, S., Eastwood, M. P., Dror, R. O. & Shaw, D. E., 2012, In: P L o S One. 7, 2, 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2011
Computational design and experimental testing of the fastest-folding ß-sheet protein
Piana, S., Sarkar, K., Lindorff-Larsen, Kresten, Guo, M., Gruebele, M. & Shaw, D. E., 7 Jan 2011, In: Journal of Molecular Biology. 405, 1, p. 43-48 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
How fast-folding proteins fold
Lindorff-Larsen, Kresten, Piana, S., Dror, R. O. & Shaw, D. E., 2011, In: Science (New York, N.Y.). 334, 6055, p. 517-20 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
How robust are protein folding simulations with respect to force field parameterization?
Piana, S., Lindorff-Larsen, Kresten & Shaw, D. E., 2011, In: Biophysical Journal (2011). 100, 9, p. L47-L49Research output: Contribution to journal › Journal article › Research › peer-review
- 2010
Improved side-chain torsion potentials for the Amber ff99SB protein force field
Lindorff-Larsen, Kresten, Piana, S., Palmo, K., Maragakis, P., Klepeis, J. L., Dror, R. O. & Shaw, D. E., Jun 2010, In: Proteins: Structure, Function, and Bioinformatics. 78, 8, p. 1950-8 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
Atomic-level characterization of the structural dynamics of proteins
Shaw, D. E., Maragakis, P., Lindorff-Larsen, Kresten, Piana, S., Dror, R. O., Eastwood, M. P., Bank, J. A., Jumper, J. M., Salmon, J. K., Shan, Y. & Wriggers, W., 2010, In: Science (New York, N.Y.). 330, 6002, p. 341-6 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
Principles of conduction and hydrophobic gating in K+ channels
Jensen, M. Ø., Borhani, D. W., Lindorff-Larsen, Kresten, Maragakis, P., Jogini, V., Eastwood, M. P., Dror, R. O. & Shaw, D. E., 2010, In: Proceedings of the National Academy of Sciences of the United States of America. 107, 13, p. 5833-8 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2009
Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations
Wriggers, W., Stafford, K. A., Shan, Y., Piana, S., Maragakis, P., Lindorff-Larsen, Kresten, Miller, P. J., Gullingsrud, J., Rendleman, C. A., Eastwood, M. P., Dror, R. O. & Shaw, D. E., 1 Oct 2009, In: Journal of Chemical Theory and Computation. 5, 10, p. 2595-2605 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
Long-timescale molecular dynamics simulations of protein structure and function
Klepeis, J. L., Lindorff-Larsen, Kresten, Dror, R. O. & Shaw, D. E., 2009, In: Current Opinion in Structural Biology. 19, 2, p. 120-7 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
Millisecond-scale molecular dynamics simulations on Anton
Shaw, D. E., Dror, R. O., Salmon, J. K., Grossman, J. P., Mackenzie, K. M., Bank, J. A., Young, C., Deneroff, M. M., Batson, B., Bowers, K. J., Chow, E., Eastwood, M. P., Ierardi, D., Klepeis, J. L., Kuskin, J., Larson, R. H., Lindorff-Larsen, K., Maragakis, P., Moraes, M. A., Piana, S. & 2 others, , 2009, Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis. Association for Computing Machinery, 11 p.Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
- Published
Similarity measures for protein ensembles
Lindorff-Larsen, Kresten & Ferkinghoff-Borg, J., 2009, In: PLoS ONE. 4, 1, 13 p., e4203.Research output: Contribution to journal › Journal article › Research › peer-review
- 2008
- Published
Experimental parameterization of an energy function for the simulation of unfolded proteins
Nørgaard, A. B., Ferkinghoff-Borg, J. & Lindorff-Larsen, Kresten, 2008, In: Biophysical Journal. 94, 1, p. 182-192Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins
Maragakis, P., Lindorff-Larsen, Kresten, Eastwood, M. P., Dror, R. O., Klepeis, J. L., Arkin, I. T., Jensen, M. Ø., Xu, H., Trbovic, N., Friesner, R. A., Iii, A. G. P. & Shaw, D. E., 2008, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 112, 19, p. 6155-6158 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2007
BPPred: a Web-based computational tool for predicting biophysical parameters of proteins
Geierhaas, C. D., Nickson, A. A., Lindorff-Larsen, Kresten, Clarke, J. & Vendruscolo, M., 2007, In: Protein Science. 16, 1, p. 125-34 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Detection of initiation sites in protein folding of the four helix bundle ACBP by chemical shift analysis.
Modig, K., Jürgensen, V. W., Lindorff-Larsen, Kresten, Fieber, W., Bohr, H. G. & Poulsen, F. M., 2007, In: FEBS Letters. 581, 25, p. 4965-4971 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2006
- Published
Characterization of the residual structure in the unfolded state of the Delta 131 Delta fragment of staphylococcal nuclease
Francis, C. J., Lindorff-Larsen, Kresten, Best, R. B. & Bendruscolo, M., 2006, In: Proteins - Structure Function and Bioinformatics. 65, 1, p. 145-52Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Conformational fluctuations affect protein alignment in dilute liquid crystal media.
Louhivuori, M., Otten, R., Lindorff-Larsen, Kresten & Annila, A., 2006, In: Journal of the American Chemical Society. 128, 13, p. 4371-4376 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Relation between native ensembles and experimental structures of proteins.
Best, R. B., Lindorff-Larsen, Kresten, DePristo, M. A. & VEndruscolo, M., 2006, In: Proceedings of the National Academy of Science of the United States of America. 103, 29, p. 10901-6Research output: Contribution to journal › Journal article › Research › peer-review
Structure of the regulatory apparatus of a calcium-dependent protein kinase (CDPK): a novel mode of calmodulin-target recognition
Chandran, V., Stollar, E. J., Lindorff-Larsen, Kresten, Harper, J. F., Chazin, W. J., Dobson, C. M., Luisi, B. F. & Christodoulou, J., 2006, In: Journal of Molecular Biology. 357, 2, p. 400-10 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2005
- Published
Formation of Native and Non-native Interactions in Ensembles of Denatured ACBP Molecules from Paramagnetic Relaxation Enhancement Studies
Kristjansdottir, S., Lindorff-Larsen, Kresten, Fieber, W., Dobson, C. M., Vendruscolo, M. & Poulsen, F. M., 2005, In: Journal of Molecular Biology. 347, 5, p. 1053-1062Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Interpreting Dynamically-Averaged Scalar Couplings in Proteins
Lindorff-Larsen, Kresten, Best, R. B. & Vendruscolo, M., 2005, In: Journal of Biomolecular NMR. 32, 4, p. 273-280Research output: Contribution to journal › Journal article › Research › peer-review
Mapping Long-Range Interactions in a-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations
Dedmon, M. M., Lindorff-Larsen, Kresten, Christodoulou, J., Vendruscolo, M. & Dobson, C. M., 2005, In: Journal of the American Chemical Society. 127, 2, p. 476-477Research output: Contribution to journal › Journal article › Research › peer-review
Protein folding and the organization of the protein topology universe
Lindorff-Larsen, Kresten, Røgen, P., Paci, E., Vendruscolo, M. & Dobson, C. M., 2005, In: TIBS -Trends in Biochemical Sciences. Regular ed.. 30, 1, p. 13-19Research output: Contribution to journal › Journal article › Research
ID: 35228567
Most downloads
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2312
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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
Published -
913
downloads
Similarity measures for protein ensembles
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
849
downloads
Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations
Research output: Contribution to journal › Journal article › Research › peer-review