Kresten Lindorff-Larsen
Professor
Biomolecular Sciences
Ole Maaløes Vej 5
2200 København N.
- 2013
- 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
ID: 35228567
Most downloads
-
2309
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 -
911
downloads
Similarity measures for protein ensembles
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
847
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