Published May 5, 2025 | Version v2
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Paper Data: Refinement and Truncation of DNA Aptamers based on Molecular Dynamics Simulations.

  • 1. EDMO icon Oviedo University

Description

APTAMD_Simulations.tar: Input files required for reproduccing the conventional molecular dynamics simulations reported in the article "Refinement and Truncation of DNA Aptamers based on Molecular Dynamics Simulations: Computational Protocol and Experimental Validation".

Fitting_echem_curves.opj: Data corresponding to binding curves organized in folders for each type of aptamers: a) Anti-collagen aptamers (data not shown, only KD is given in table 1); b) Anti-PSA aptamers (figure 4A of the main text); c) Gli1 aptamers (figure 3A of the main text); d) PSA-1 aptamers (figure 3D of the main text). Each folder contains the spreadsheet with the aptamer concentrations assayed, the current measured in percentage (mean of three measurements) with the standard deviation and the fitting to the Hill or Langmuir model, and the corresponding graphs.

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