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An automated docking protocol for hERG channel blockers.
Di Martino GP, Masetti M, Ceccarini L, Cavalli A, Recanatini M. Di Martino GP, et al. J Chem Inf Model. 2013 Jan 28;53(1):159-75. doi: 10.1021/ci300326d. Epub 2013 Jan 9. J Chem Inf Model. 2013. PMID: 23259741
Multiscale Simulations of a Two-Pore Potassium Channel.
Masetti M, Berti C, Ocello R, Di Martino GP, Recanatini M, Fiegna C, Cavalli A. Masetti M, et al. Among authors: di martino gp. J Chem Theory Comput. 2016 Dec 13;12(12):5681-5687. doi: 10.1021/acs.jctc.6b00972. Epub 2016 Nov 18. J Chem Theory Comput. 2016. PMID: 27951666