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Understanding folding and design: Replica-exchange simulations of ``Trp-cage'' miniproteins

Replica-exchange molecular dynamics simulations in implicit solvent have been carried out to study the folding thermodynamics of a designed 20-residue peptide, or ``miniprotein.'' The simulations in this study used the amber (parm94) force field along with the generalized Born/solvent-acce...

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Autori principali: Pitera, Jed W., Swope, William
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2003
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC164630/
https://ncbi.nlm.nih.gov/pubmed/12808142
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1330954100
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