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Some of the potential applications for computational, structure-based protein design include antibody affinity maturation, modulation of protein protein interaction, stability improvement and minimization of protein aggregation.
Minimization of protein was performed until the average root mean square (rms) deviation of the non-hydrogen atoms reached 0.3 Å using OPLS-2005 field field to remove the steric hindrance under Protein Preparation Wizard of Schrödinger Suite 2011 [23].
This method implements a simple minimization of protein costs for a given optimal biomass production.
Structure analysis of protein after energy minimization of protein structure was analyzed using Discovery Studio 2.5 (DS Modeling 2.5, Accelrys Inc., San Diego, CA, USA).
Transcript length has already been reported to be negatively correlated with gene expression level (mRNA abundance), positively with protein divergence in Drosophila [ 7] and metabolic cost minimization of protein synthesis [ 8], and other factors relevant to molecular evolutionary ecology [ 9].
More recent studies have relied on the theory that E. coli chooses its pathways based on the minimization of protein cost [ 39, 40] and number of metabolic steps [ 41].
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The high-positive B values indicate solution conditions that should provide increased protein solubility and consequently, minimization of nonspecific protein aggregation.
Additionally, energy-minimization of protein-nucleotide crystal structures with the new parameters produced accurate poses.
Two primary approaches have been utilized, involving the minimization of known protein binding motifs or the de novo design of binding pockets within well-folded protein structures.
The macro-model was subjected to minimization in the Protein Preparation Wizard (Schrödinger Suite) using the OPLS_2005 force field up to a maximum deviation of 0.8 Å. Final energy minimization of the protein macro-models was performed with 3500 steps, employing the Polak-Ribiere conjugate gradient algorithm, which iterates the energy minimization scheme every 3N steps.
Docking is a ligand position search in a protein active site through global optimization (minimization) of the protein-ligand potential energy as a function of the ligand position.
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decrease of protein
minimization of time
minimization of contamination
minimization of water
minimization of risk
minimization of research
minimization of contact
minimization of pain
minimization of tax
minimization of sweating
minimization of congestion
minimization of makespan
minimization of y
minimization of distortion
minimization of crossover
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