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Finding the minimum energy amino acid side-chain conformation is a fundamental problem in both homology modeling and protein design.
The ability to predict the structural response of a protein to an insertion would be a significant advance for the fields of homology modeling and protein design.
For structural biology applications that depend on side-chain repacking, including x-ray refinement, homology modeling, and protein design, the accuracy limitations of pairwise additivity can now be eliminated via polarizable or quantum mechanical potentials.
The crystal structure of the gC1q, molecular modeling and protein engineering studies have combined to illustrate how modular organization, charge distribution and the spatial orientation of the heterotrimeric assembly offer versatility of ligand recognition to C1q.
The putative pathogenic mechanisms of these newly described mutations were analyzed in silico, by means of mutagenesis modeling and protein stability calculations using our own generated model, as well as a previously available one.
SE performed the molecular modeling and protein disorder studies and helped draft the manuscript.
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This research provides rules that could be applied to protein structure prediction, comparative modelling and protein engineering and design.
Of course, these data are dependent on having accurate gene models and protein sequence alignments.
Gene models and protein sequences from O. sativa ssp.
Here, we review logic-based models, which represent a compromise between highly specified differential equation models and protein interaction graphs.
Markov chains are considered as the most fundamental approach used in language modelling and protein sequences similarity measurement [ 25, 29].
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