Helping to understand protein conformations with molecular dynamics

In the correct context, molecular dynamics calculations can provide valuable information for project development, saving time and money. Molecular dynamics can be useful for assessing the energetic stability of proteins and identifying available conformations and, therefore, analyzing available binding pockets. However, the calculations are computationally expensive and require careful analysis to avoid misleading results. In order to get the most insight from molecular dynamics it’s important to have background understanding of the system of interest and of protein movements in general.

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