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Energy functions for protein design I: Efficient and accurate continuum electrostatics and solvation

Electrostatics and solvation energies are important for defining protein stability, structural specificity, and molecular recognition. Because these energies are difficult to compute quickly and accurately, they are often ignored or modeled very crudely in computational protein design. To address th...

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Détails bibliographiques
Auteurs principaux: Pokala, Navin, Handel, Tracy M.
Format: Artigo
Langue:Inglês
Publié: Cold Spring Harbor Laboratory Press 2004
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC2280065/
https://ncbi.nlm.nih.gov/pubmed/15010542
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1110/ps.03486104
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