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The idea of our work is to analyse chlorines and carbon alphas positions throughout the simulation to find the closest pair and biggest position change
This work aims to understand what is 'wrong' with the mutated protein, i.e. to understand the proteins' distribution with respect to the molecules in the Dent disease.
Center and scale variables from molecular dynamics before PCA
Volem millorar el rendiment de l'aplicació CPPTRAJ, fent ús de tècniques de paral·lelització per ajudar a la investigació de la malaltia de DENT que fa ús d'aquesta aplicació per a la recerca.
