Lindorff-Larsen K - Search Results

1

Barnaba: software for analysis of nucleic acid structures and trajectories.

Bottaro S, Bussi G, Pinamonti G, Reißer S, Boomsma W, Lindorff-Larsen K. Bottaro S, et al. RNA. 2019 Feb;25(2):219-231. doi: 10.1261/rna.067678.118. Epub 2018 Nov 12. RNA. 2019. PMID: 30420522 Free PMC article.

2

The covalent reactivity of functionalized 5-hydroxy-butyrolactams is the basis for targeting of fatty acid binding protein 5 (FABP5) by the neurotrophic agent MT-21.

Svenningsen EB, Ottosen RN, Jørgensen KH, Nisavic M, Larsen CK, Hansen BK, Wang Y, Lindorff-Larsen K, Tørring T, Hacker SM, Palmfeldt J, Poulsen TB. Svenningsen EB, et al. RSC Chem Biol. 2022 Sep 7;3(10):1216-1229. doi: 10.1039/d2cb00161f. eCollection 2022 Oct 5. RSC Chem Biol. 2022. PMID: 36320884 Free PMC article.

3

Correction to "Improving Martini 3 for Disordered and Multidomain Proteins".

Thomasen FE, Pesce F, Roesgaard MA, Tesei G, Lindorff-Larsen K. Thomasen FE, et al. J Chem Theory Comput. 2023 May 23;19(10):3022-3023. doi: 10.1021/acs.jctc.3c00425. Epub 2023 May 4. J Chem Theory Comput. 2023. PMID: 37140555 No abstract available.

4

A sticky cage can slow down folding.

Boomsma W, Lindorff-Larsen K. Boomsma W, et al. Biophys J. 2013 Mar 5;104(5):964-5. doi: 10.1016/j.bpj.2013.01.036. Biophys J. 2013. PMID: 23473477 Free PMC article. No abstract available.

5

PHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure.

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, Ferkinghoff-Borg J, Hamelryck T. Boomsma W, et al. J Comput Chem. 2013 Jul 15;34(19):1697-705. doi: 10.1002/jcc.23292. Epub 2013 Apr 26. J Comput Chem. 2013. PMID: 23619610

6

Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics.

Christensen AS, Linnet TE, Borg M, Boomsma W, Lindorff-Larsen K, Hamelryck T, Jensen JH. Christensen AS, et al. PLoS One. 2013 Dec 31;8(12):e84123. doi: 10.1371/journal.pone.0084123. eCollection 2013. PLoS One. 2013. PMID: 24391900 Free PMC article.

7

Combining experiments and simulations using the maximum entropy principle.

Boomsma W, Ferkinghoff-Borg J, Lindorff-Larsen K. Boomsma W, et al. PLoS Comput Biol. 2014 Feb 20;10(2):e1003406. doi: 10.1371/journal.pcbi.1003406. eCollection 2014 Feb. PLoS Comput Biol. 2014. PMID: 24586124 Free PMC article. Review.

8

Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.

Bottaro S, Lindorff-Larsen K, Best RB. Bottaro S, et al. J Chem Theory Comput. 2013 Dec 10;9(12):5641-5652. doi: 10.1021/ct400730n. J Chem Theory Comput. 2013. PMID: 24748852 Free PMC article.

9

Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts.

Boomsma W, Tian P, Frellsen J, Ferkinghoff-Borg J, Hamelryck T, Lindorff-Larsen K, Vendruscolo M. Boomsma W, et al. Proc Natl Acad Sci U S A. 2014 Sep 23;111(38):13852-7. doi: 10.1073/pnas.1404948111. Epub 2014 Sep 5. Proc Natl Acad Sci U S A. 2014. PMID: 25192938 Free PMC article.

10

Structure of a functional amyloid protein subunit computed using sequence variation.

Tian P, Boomsma W, Wang Y, Otzen DE, Jensen MH, Lindorff-Larsen K. Tian P, et al. J Am Chem Soc. 2015 Jan 14;137(1):22-5. doi: 10.1021/ja5093634. Epub 2014 Dec 22. J Am Chem Soc. 2015. PMID: 25415595

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