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Compact representation of continuous energy surfaces for more efficient protein design

In macromolecular design, conformational energies are sensitive to small changes in atom coordinates, so modeling the small, continuous motions of atoms around low-energy wells confers a substantial advantage in structural accuracy; however, modeling these motions comes at the cost of a very large n...

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Bibliografski detalji
Izdano u:J Chem Theory Comput
Glavni autori: Hallen, Mark A., Gainza, Pablo, Donald, Bruce R.
Format: Artigo
Jezik:Inglês
Izdano: 2015
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4469035/
https://ncbi.nlm.nih.gov/pubmed/26089744
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct501031m
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