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These features integrate R code with computations performed in PLINK-1.9 and extensive bash scripts to minimize computational time.
This method aims to minimize computational time while producing satisfactory results.
Only five conformational ensembles for each structure are generated to minimize computational time (30 40 min for one drug).
Having obtained the initial solution, the remaining subset of the data can be trained batch-by-batch without keeping the previously trained set to minimize computational time and complexity.
Each ligand interaction with individual PDC109 domains was calculated separately to minimize computational time under the assumption that PhC interaction with each of the two domains is uncorrelated with the other domain.
To minimize computational time BLAST searches were done incrementally beginning with stringent parameters (Megablast, word size 20, and nucleotide mismatch penalty -1).
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The methods of this paper can be easily generalized to other multiobjective applications to minimize computational times as well as trial-and-error parameter analysis.
By minimizing computational time and increasing global accessibility, high-performance cloud computing may help usher in the era when high-resolution cryo-EM becomes a routine structural biology tool.
The numerical model is developed in the goal of minimizing computational time.
All calculations were carried out with Spartan'10 v1.1.0 Molecular Modelling program [47] at the DFT M06/LACVP* level in order to maximize the accuracy on the chemically active electrons of the reactions while minimizing computational time.
Given these demands, it is critical for software tools to minimize computational resources (time, memory, I/O, etc) required for analysis.
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