Gln isothermal simulations [0.6-1.40]

Simulation data of computational analysis of tRNA thermal stability

The simulations assessed global tRNA stability and pairwise contacts between ribonucleotide residues. Acceptance or rejection of simulation moves followed the Metropolis criterion, influenced by the temperature parameter (T). Higher T increased the likelihood of accepting higher-energy states, allowing broader exploration of conformational space. Lower T prioritized lower-energy states, narrowing exploration.  The simulations covered T values from 0.6 (maintaining the folded structure) to 1.4 (the rapid unfolding of tRNA).