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Computational Protein Design Is a Challenge for Implicit Solvation Models

Increasingly complex schemes for representing solvent effects in an implicit fashion are being used in computational analyses of biological macromolecules. These schemes speed up the calculations by orders of magnitude and are assumed to compromise little on essential features of the solvation pheno...

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Autori principali: Jaramillo, Alfonso, Wodak, Shoshana J.
Natura: Artigo
Lingua:Inglês
Pubblicazione: The Biophysical Society 2005
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC1304995/
https://ncbi.nlm.nih.gov/pubmed/15377512
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.042044
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