Depending on whether peak or average computational performance is more important, the available computational resources can be configured in different ways.
However, as more data becomes available, computational modeling of protein stability as applied here can be easily extended by retraining the model on new data.
An efficient parallelization of the algorithm itself, which improves the execution time of each specific simulation, can exploit more effectively the available computational resources, allowing to reach a higher computational efficiency.
As more and more high-throughput genome-wide expression data become available, computational inference of GINs from expression data is critically valuable and feasible with much less cost.
This kind of computation can exhaust the available computational resources on one institution, requiring the use of grid computing technique to provide more computational resources from other institutions [5].
Assembly following in silico normalization can be an alternative approach when sequence data is too large to handle with available computational resources (e.g., more than 200 million reads) [ 13, 27].
As more data about drugs, targets, and their interactions becomes available, computational approaches have become an indispensible part of drug target association discovery.
It must, however, be stated that the agent-based approach and discrete computational approaches, in general, are typically less utilized to simulate bulk phenomena, where population behaviour holds more significance than individual behaviour, at least within currently available computational resources.
Increased predictive accuracy often comes with an increased computational cost, and the adoption of these more accurate functionals has only been made possible through the continued increase in available computational power.
Therefore, by using many implementation algorithms of GED, for instance, the method proposed in [26], the computational cost can be reduced further which makes our approach more available in practical usage.
