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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
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. 2022 Apr 12;18(4):2033-2041. doi: 10.1021/acs.jctc.1c01042. Epub 2022 Apr 4. J Chem Theory Comput. 2022. PMID: 35377637
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.
Discovering functionally important sites in proteins.
Cagiada M, Bottaro S, Lindemose S, Schenstrøm SM, Stein A, Hartmann-Petersen R, Lindorff-Larsen K. Cagiada M, et al. Nat Commun. 2023 Jul 13;14(1):4175. doi: 10.1038/s41467-023-39909-0. Nat Commun. 2023. PMID: 37443362 Free PMC article.
234 results