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Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.
Frembgen-Kesner T, Andrews CT, Li S, Ngo NA, Shubert SA, Jain A, Olayiwola OJ, Weishaar MR, Elcock AH. Frembgen-Kesner T, et al. Among authors: elcock ah. J Chem Theory Comput. 2015 May 12;11(5):2341-54. doi: 10.1021/acs.jctc.5b00038. Epub 2015 Apr 30. J Chem Theory Comput. 2015. PMID: 26574429 Free PMC article.
Molecular Dynamics Simulations of 441 Two-Residue Peptides in Aqueous Solution: Conformational Preferences and Neighboring Residue Effects with the Amber ff99SB-ildn-NMR Force Field.
Li S, Andrews CT, Frembgen-Kesner T, Miller MS, Siemonsma SL, Collingsworth TD, Rockafellow IT, Ngo NA, Campbell BA, Brown RF, Guo C, Schrodt M, Liu YT, Elcock AH. Li S, et al. Among authors: elcock ah. J Chem Theory Comput. 2015 Mar 10;11(3):1315-29. doi: 10.1021/ct5010966. J Chem Theory Comput. 2015. PMID: 26579777 Free PMC article.
Dynamic binding of replication protein a is required for DNA repair.
Chen R, Subramanyam S, Elcock AH, Spies M, Wold MS. Chen R, et al. Among authors: elcock ah. Nucleic Acids Res. 2016 Jul 8;44(12):5758-72. doi: 10.1093/nar/gkw339. Epub 2016 Apr 29. Nucleic Acids Res. 2016. PMID: 27131385 Free PMC article.
87 results