Polyamines have important roles in the modulation of the cellular function and are ubiquitous in cells. The polyamines putrescine2+, spermidine3+, and spermine4+ represent the most abundant organic co
Files with the initial aptamer structures (wt and three mutant forms) and their complexes with ATP after docking, used in the MD simulations, along with MD simulation trajectories and meta-eABF simula
Source files and results of MD simulations published in ACS Applied Materials & Interfaces. "Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials". DOI: 10.1021/acsami.2c0603
