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LUTE (Local Unpruned Tuple Expansion): Accurate Continuously Flexible Protein Design with General Energy Functions and Rigid Rotamer-Like Efficiency

Most protein design algorithms search over discrete conformations and an energy function that is residue-pairwise, that is, a sum of terms that depend on the sequence and conformation of at most two residues. Although modeling of continuous flexibility and of non-residue-pairwise energies significan...

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Detalhes bibliográficos
Publicado no:J Comput Biol
Main Authors: Hallen, Mark A., Jou, Jonathan D., Donald, Bruce R.
Formato: Artigo
Idioma:Inglês
Publicado em: Mary Ann Liebert, Inc. 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5467149/
https://ncbi.nlm.nih.gov/pubmed/27681371
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1089/cmb.2016.0136
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