Refinement and truncation of DNA aptamers based on molecular dynamics simulations: Computational protocol and experimental validation

A. Díaz-Fernández, C. S. Ciudad, N. Díaz, D. Suárez, N. de-los-Santos-Álvarez, M. J. Lobo-Castañón

J. Chem. Inf. Model. 65, 2025, 4128-4136

doi: 10.1021/acs.jcim.5c00243 associated data: https://github.com/dimassuarez/APTAMD; https://github.com/dimassuarez/cencalc_quicksort ; https://doi.org/10.5281/zenodo.14809305