Kresten Lindorff-Larsen
Professor
Biomolecular Sciences
Ole Maaløes Vej 5
2200 København N.
- 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
- 2010
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
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
- 2011
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
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
- 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
- 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
- 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
ID: 35228567
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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
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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